67106691
  -OEChem-04262413072D

 48 51  0     0  0  0  0  0  0999 V2000
    6.9856    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3607    0.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502    2.6889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499   -0.2612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800    2.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -3.2384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -2.7003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964    2.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2800    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502    3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6964    3.9936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    2.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0071    1.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181    2.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0181    3.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    4.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    2.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9820   -1.0055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7800    4.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -2.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035   -0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2800    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2927   -1.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -4.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8890    4.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    1.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842    4.8089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    2.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    3.9989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    1.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2566   -0.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0900    4.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8109   -0.2099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -1.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000    3.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994   -2.0838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998   -4.3815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4818   -4.7782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785   -3.9963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -2.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -2.9043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -3.6388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 19  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 19  1  0  0  0  0
  4 21  1  0  0  0  0
  4 37  1  0  0  0  0
  5 20  1  0  0  0  0
  5 25  2  0  0  0  0
  6 23  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 23  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 30  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  2  0  0  0  0
 13 16  2  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 22  2  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 24  1  0  0  0  0
 21 27  2  0  0  0  0
 22 25  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  1  0  0  0  0
 24 26  2  0  0  0  0
 24 39  1  0  0  0  0
 25 41  1  0  0  0  0
 26 40  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67106691

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
598

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB/gAAHgAQAAAADAzBngQ/8LPMGACoA7d3dACCgCk3EiAJ2CG4dNiIYPrA1bGUIQholALIyScYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[6-(dimethylamino)-3-pyridyl]-2-oxo-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[6-(dimethylamino)-3-pyridinyl]-2-oxo-2-[2-(3-pyridinyl)-3-indolizinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[6-(dimethylamino)pyridin-3-yl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-[6-(dimethylamino)pyridin-3-yl]-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[6-(dimethylamino)pyridin-3-yl]-2-oxidanylidene-2-(2-pyridin-3-ylindolizin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[6-(dimethylamino)-3-pyridyl]-2-keto-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19N5O2/c1-26(2)19-9-8-16(14-24-19)25-22(29)21(28)20-18(15-6-5-10-23-13-15)12-17-7-3-4-11-27(17)20/h3-14H,1-2H3,(H,25,29)

> <PUBCHEM_IUPAC_INCHIKEY>
LAOFOXJCELRZQG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
385.15387487

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
385.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=NC=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=NC=C(C=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CN=CC=C4

> <PUBCHEM_CACTVS_TPSA>
79.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
385.15387487

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
10  11  8
10  14  8
12  18  8
12  20  8
13  16  8
14  17  8
16  17  8
18  22  8
21  24  8
21  27  8
22  25  8
23  26  8
24  26  8
3  10  8
3  13  8
3  8  8
5  20  8
5  25  8
7  23  8
7  27  8
8  9  8
9  11  8

$$$$