
 CHEMBL2153782

 34 36  0  0  0  0  0  0  0  0999 V2000
    3.2259    1.1667   -1.7091 C   0  0  0  0  0
    3.5367    0.2339   -0.5771 C   0  0  0  0  0
    4.1528   -0.9345   -0.8863 N   0  0  0  0  0
    4.3730   -1.8207    0.1094 C   0  0  0  0  0
    4.0186   -1.5589    1.4262 C   0  0  0  0  0
    3.3984   -0.3511    1.7323 C   0  0  0  0  0
    3.1409    0.5569    0.7156 C   0  0  0  0  0
    4.9872   -3.0050   -0.2984 N   0  0  0  0  0
    5.1752   -4.1532    0.4335 C   0  0  0  0  0
    4.7905   -4.3646    1.5810 O   0  0  0  0  0
    5.9047   -5.2279   -0.2946 C   0  0  0  0  0
    6.1154   -6.4813    0.2721 C   0  0  0  0  0
    6.8378   -7.4757   -0.3784 C   0  0  0  0  0
    7.3618   -7.1924   -1.6471 C   0  0  0  0  0
    7.1017   -5.9297   -2.1846 C   0  0  0  0  0
    6.4016   -4.9644   -1.5373 N   0  0  0  0  0
    7.6674   -5.5729   -3.5291 C   0  0  0  0  0
    6.8638   -8.6049    0.4869 C   0  0  0  0  0
    6.1589   -8.2795    1.6248 C   0  0  0  0  0
    5.7139   -6.9927    1.4872 N   0  0  0  0  0
    3.8420    0.9350   -2.5833 H   0  0  0  0  0
    3.4238    2.2044   -1.4222 H   0  0  0  0  0
    2.1725    1.0689   -1.9896 H   0  0  0  0  0
    4.2204   -2.2579    2.2280 H   0  0  0  0  0
    3.1152   -0.1285    2.7570 H   0  0  0  0  0
    2.6410    1.4953    0.9310 H   0  0  0  0  0
    5.2761   -3.0187   -1.2716 H   0  0  0  0  0
    7.9441   -7.9296   -2.1888 H   0  0  0  0  0
    7.1197   -4.7330   -3.9676 H   0  0  0  0  0
    7.5917   -6.4194   -4.2194 H   0  0  0  0  0
    8.7191   -5.2894   -3.4254 H   0  0  0  0  0
    7.3459   -9.5553    0.2977 H   0  0  0  0  0
    5.9387   -8.8480    2.5186 H   0  0  0  0  0
    5.1683   -6.4653    2.1621 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 20  1  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153782

>  <PubChem CID>
71456663

>  <Formula>
C15H14N4O

>  <Molecular Weight>
266.304000

>  <IUPAC Name>
5-methyl-N-(6-methylpyridin-2-yl)-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC(=CC=C1)NC(=O)C2=C3C(=CC(=N2)C)C=CN3

>  <Isomeric SMILES>
CC1=NC(=CC=C1)NC(=O)C2=C3C(=CC(=N2)C)C=CN3

>  <InChI Std. ID>
InChI=1S/C15H14N4O/c1-9-4-3-5-12(17-9)19-15(20)14-13-11(6-7-16-13)8-10(2)18-14/h3-8,16H,1-2H3,(H,17,19,20)

>  <InChI Key>
AMFDWAQBEWPZKV-UHFFFAOYSA-N

