
 CHEMBL3401722

 28 30  0  0  0  0  0  0  0  0999 V2000
   -0.2438   -0.0405    5.0505 C   0  0  0  0  0
    0.8962   -0.2972    4.2845 C   0  0  0  0  0
    0.8077   -0.4522    2.8949 C   0  0  0  0  0
   -0.4501   -0.3402    2.2849 C   0  0  0  0  0
   -1.5663   -0.0795    3.0736 C   0  0  0  0  0
   -1.5081    0.0740    4.4604 C   0  0  0  0  0
   -2.5993   -0.0215    2.1772 N   0  0  0  0  0
   -2.0904   -0.2355    0.9222 C   0  0  0  0  0
   -0.7959   -0.4445    0.9575 N   0  0  0  0  0
   -2.8380   -0.2260   -0.2260 N   0  0  0  0  0
   -4.1796    0.0829   -0.2309 C   0  0  0  0  0
   -4.8397    0.3793    0.7615 O   0  0  0  0  0
   -4.8296    0.0820   -1.5662 C   0  0  0  0  0
   -4.4608   -0.8206   -2.5641 C   0  0  0  0  0
   -5.1209   -0.7426   -3.7773 C   0  0  0  0  0
   -6.0946    0.1531   -4.0446 N   0  0  0  0  0
   -6.4418    1.0025   -3.0538 C   0  0  0  0  0
   -5.8491    1.0036   -1.8054 C   0  0  0  0  0
   -0.1475    0.0753    6.1286 H   0  0  0  0  0
    1.8659   -0.3769    4.7701 H   0  0  0  0  0
    1.6885   -0.6500    2.2948 H   0  0  0  0  0
   -2.3930    0.2754    5.0542 H   0  0  0  0  0
   -3.5755    0.1670    2.3685 H   0  0  0  0  0
   -2.3081   -0.3666   -1.0746 H   0  0  0  0  0
   -3.7070   -1.5833   -2.4097 H   0  0  0  0  0
   -4.8830   -1.4222   -4.5915 H   0  0  0  0  0
   -7.2346    1.7038   -3.3001 H   0  0  0  0  0
   -6.1678    1.7073   -1.0438 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401722

>  <PubChem CID>
896334

>  <Formula>
C13H10N4O

>  <Molecular Weight>
238.250000

>  <IUPAC Name>
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide

>  <XlogP>
1.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=NC=C3

>  <Isomeric SMILES>
C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=NC=C3

>  <InChI Std. ID>
InChI=1S/C13H10N4O/c18-12(9-5-7-14-8-6-9)17-13-15-10-3-1-2-4-11(10)16-13/h1-8H,(H2,15,16,17,18)

>  <InChI Key>
IBQULOKMIKCTRW-UHFFFAOYSA-N

