
 CHEMBL493571

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.9090    0.0762    1.4117 C   0  0  0  0  0
    2.3543    0.1104    1.0162 C   0  0  0  0  0
    2.9270   -1.0704    0.6884 N   0  0  0  0  0
    4.2102   -1.0844    0.2852 C   0  0  0  0  0
    4.9741    0.0738    0.2311 C   0  0  0  0  0
    4.3775    1.2891    0.5599 C   0  0  0  0  0
    3.0438    1.3123    0.9507 C   0  0  0  0  0
    4.8205   -2.2863   -0.0909 N   0  0  0  0  0
    4.2613   -3.5346   -0.2351 C   0  0  0  0  0
    4.9837   -4.5250   -0.3336 O   0  0  0  0  0
    2.7966   -3.7170   -0.3308 C   0  0  0  0  0
    2.1703   -4.6320    0.5207 C   0  0  0  0  0
    0.7801   -4.7701    0.4846 C   0  0  0  0  0
    0.0211   -4.0055   -0.4111 C   0  0  0  0  0
    0.6591   -3.1375   -1.3047 C   0  0  0  0  0
    2.0484   -3.0069   -1.2782 C   0  0  0  0  0
   -1.4083   -4.0895   -0.3985 C   0  0  0  0  0
   -2.5697   -4.1381   -0.3810 N   0  0  0  0  0
    0.5864   -0.9512    1.6114 H   0  0  0  0  0
    0.2904    0.4790    0.6039 H   0  0  0  0  0
    0.7436    0.6629    2.3204 H   0  0  0  0  0
    6.0109    0.0521   -0.0859 H   0  0  0  0  0
    4.9469    2.2126    0.5028 H   0  0  0  0  0
    2.5569    2.2496    1.1993 H   0  0  0  0  0
    5.8255   -2.2882   -0.1903 H   0  0  0  0  0
    2.7602   -5.2127    1.2262 H   0  0  0  0  0
    0.2949   -5.4610    1.1712 H   0  0  0  0  0
    0.0814   -2.5397   -2.0068 H   0  0  0  0  0
    2.5390   -2.3138   -1.9565 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  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 22  1  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  8  9  1  0  0  0
  8 25  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
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 27  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 28  1  0  0  0
 16 29  1  0  0  0
 17 18  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL493571

>  <PubChem CID>
25344457

>  <Formula>
C14H11N3O

>  <Molecular Weight>
237.262000

>  <IUPAC Name>
4-cyano-N-(6-methylpyridin-2-yl)benzamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)C#N

>  <Isomeric SMILES>
CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)C#N

>  <InChI Std. ID>
InChI=1S/C14H11N3O/c1-10-3-2-4-13(16-10)17-14(18)12-7-5-11(9-15)6-8-12/h2-8H,1H3,(H,16,17,18)

>  <InChI Key>
AXSOUIICIQVSBZ-UHFFFAOYSA-N

