67946387
  -OEChem-05132406392D

 49 52  0     0  0  0  0  0  0999 V2000
    5.2531    1.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    1.3148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -3.1059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -4.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    1.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -3.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -1.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -0.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    0.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4993    3.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314    3.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    2.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4778    3.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1421    4.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7884    4.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    4.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815   -2.4107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144   -1.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848   -0.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    0.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -4.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -3.9107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -3.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9200    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5132    0.8150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7960    2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8918    2.7544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7280    5.1659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250    4.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2462    3.4198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9808    2.9410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3951    4.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3132    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 24  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 20  1  0  0  0  0
  5 24  1  0  0  0  0
  5 42  1  0  0  0  0
  6 19  2  0  0  0  0
  6 21  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 30  1  0  0  0  0
 12 16  2  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 21  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 43  1  0  0  0  0
 26 29  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 29  2  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67946387

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
589

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB/AAAHgAQAAAADAzBnwQ/0LfMEACoA7d3dACCgC01EqAJ2KG4dNiIaPLA3fGUJQhohgLIyacYiYCeiAAAAAAQAAAQAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxo-ethyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-N-[2-[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]-2-oxoethyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-<I>N</I>-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide

> <PUBCHEM_IUPAC_NAME>
2-methyl-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxoethyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-N-[2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-oxidanylidene-ethyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-keto-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-2-methyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20N4O2/c1-15-5-3-4-6-19(15)23(29)25-14-22(28)17-7-9-18(10-8-17)27-16(2)26-20-13-24-12-11-21(20)27/h3-13H,14H2,1-2H3,(H,25,29)

> <PUBCHEM_IUPAC_INCHIKEY>
JMOIGNFGZYAYAP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
384.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
384.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=CC=C1C(=O)NCC(=O)C2=CC=C(C=C2)N3C(=NC4=C3C=CN=C4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=CC=C1C(=O)NCC(=O)C2=CC=C(C=C2)N3C(=NC4=C3C=CN=C4)C

> <PUBCHEM_CACTVS_TPSA>
76.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
384.15862589

> <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  19  8
11  15  8
12  16  8
13  15  8
13  16  8
14  21  8
22  23  8
22  25  8
23  26  8
25  28  8
26  29  8
28  29  8
3  7  8
3  9  8
4  10  8
4  9  8
6  19  8
6  21  8
7  10  8
7  14  8
8  11  8
8  12  8

$$$$