146149863
  -OEChem-06142410202D

 44 46  0     1  0  0  0  0  0999 V2000
    2.3090   -4.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7731    4.4804    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2731    3.6144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.1144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -2.3856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    3.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    4.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -3.3856    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6180   -3.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0052    3.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -4.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -0.3856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712    4.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372    4.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4852    2.0318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8837    2.7221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5377    4.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    4.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1950    2.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965    2.0068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614   -3.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844   -4.2255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -3.4364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6066    3.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4037    3.1395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.4364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -4.2255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -5.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -5.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    0.8044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381   -0.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -0.5756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440   -2.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2742    4.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 40  1  0  0  0  0
  7 18  2  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 14  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 20  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 24  3  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
146149863

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
521

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAEAAAASAAAAAsAAAAAAAAAAABgAAAHgAYAAAADBzhmgY9hJLIFADqGjF3VAiCiCA1IiAI2KE+bNgNJnLE9ZuOOSjl1hHK6Ye2EAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-tetrahydrofuran-3-yloxy-pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(3-but-3-ynyl-3-diazirinyl)ethyl]-2-(3-oxolanyloxy)-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-tetrahydrofuran-3-yloxy-isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N4O3/c1-2-3-6-17(20-21-17)7-9-19-16(22)13-4-8-18-15(11-13)24-14-5-10-23-12-14/h1,4,8,11,14H,3,5-7,9-10,12H2,(H,19,22)

> <PUBCHEM_IUPAC_INCHIKEY>
PEUORYZYAXXXOV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
328.15354051

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
328.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#CCCC1(N=N1)CCNC(=O)C2=CC(=NC=C2)OC3CCOC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#CCCC1(N=N1)CCNC(=O)C2=CC(=NC=C2)OC3CCOC3

> <PUBCHEM_CACTVS_TPSA>
85.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.15354051

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
18  21  8
19  21  8
19  22  8
12  2  3
22  23  8
7  18  8
7  23  8

$$$$
