
 CHEMBL248141

 36 38  0  0  0  0  0  0  0  0999 V2000
    2.0317    0.4079    1.9456 C   0  0  0  0  0
    3.4731    0.0204    1.8119 C   0  0  0  0  0
    3.7348   -1.1964    1.2830 N   0  0  0  0  0
    5.0153   -1.5772    1.1317 C   0  0  0  0  0
    6.0745   -0.7557    1.5011 C   0  0  0  0  0
    5.7998    0.4976    2.0437 C   0  0  0  0  0
    4.4782    0.8960    2.2008 C   0  0  0  0  0
    5.3256   -2.8272    0.5925 N   0  0  0  0  0
    4.4182   -3.7787    0.1784 C   0  0  0  0  0
    3.1941   -3.7165    0.1929 O   0  0  0  0  0
    5.0772   -5.0226   -0.3381 C   0  0  0  0  0
    6.4389   -5.0382   -0.3333 N   0  0  0  0  0
    7.0233   -6.1749   -0.8009 C   0  0  0  0  0
    6.3431   -7.3092   -1.2595 C   0  0  0  0  0
    4.9421   -7.2288   -1.2470 C   0  0  0  0  0
    4.2991   -6.0812   -0.7837 C   0  0  0  0  0
    7.0704   -8.4997   -1.7340 C   0  0  0  0  0
    6.5537   -9.7937   -1.6428 C   0  0  0  0  0
    7.2991  -10.8654   -2.1311 C   0  0  0  0  0
    8.5424  -10.6264   -2.6978 C   0  0  0  0  0
    8.9938   -9.3203   -2.7439 C   0  0  0  0  0
    8.2937   -8.2633   -2.2728 N   0  0  0  0  0
    1.3778   -0.4380    1.7091 H   0  0  0  0  0
    1.7970    1.2254    1.2572 H   0  0  0  0  0
    1.8150    0.7259    2.9702 H   0  0  0  0  0
    7.1034   -1.0732    1.3747 H   0  0  0  0  0
    6.6100    1.1572    2.3399 H   0  0  0  0  0
    4.2394    1.8683    2.6181 H   0  0  0  0  0
    6.3001   -3.0874    0.4896 H   0  0  0  0  0
    8.1126   -6.1540   -0.7912 H   0  0  0  0  0
    4.3299   -8.0484   -1.6149 H   0  0  0  0  0
    3.2154   -6.0150   -0.7750 H   0  0  0  0  0
    5.5879   -9.9853   -1.1869 H   0  0  0  0  0
    6.9094  -11.8775   -2.0667 H   0  0  0  0  0
    9.1457  -11.4370   -3.0906 H   0  0  0  0  0
    9.9609   -9.0785   -3.1758 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  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 26  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 31  1  0  0  0
 16 32  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL248141

>  <PubChem CID>
44440736

>  <Formula>
C17H14N4O

>  <Molecular Weight>
290.326000

>  <IUPAC Name>
N-(6-methylpyridin-2-yl)-5-pyridin-2-ylpyridine-2-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=NC(=CC=C1)NC(=O)C2=NC=C(C=C2)C3=CC=CC=N3

>  <Isomeric SMILES>
CC1=NC(=CC=C1)NC(=O)C2=NC=C(C=C2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C17H14N4O/c1-12-5-4-7-16(20-12)21-17(22)15-9-8-13(11-19-15)14-6-2-3-10-18-14/h2-11H,1H3,(H,20,21,22)

>  <InChI Key>
AYAQMMIYEDUQLD-UHFFFAOYSA-N

