
 CHEMBL397121

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.1152   -0.0764    2.0087 C   0  0  0  0  0
    2.4961   -0.1416    1.4300 C   0  0  0  0  0
    2.9579   -1.3631    1.0775 N   0  0  0  0  0
    4.1900   -1.4619    0.5498 C   0  0  0  0  0
    4.9998   -0.3475    0.3570 C   0  0  0  0  0
    4.5152    0.9089    0.7114 C   0  0  0  0  0
    3.2418    1.0164    1.2548 C   0  0  0  0  0
    4.7015   -2.7018    0.1625 N   0  0  0  0  0
    4.0355   -3.9077    0.2124 C   0  0  0  0  0
    2.9009   -4.1334    0.6124 O   0  0  0  0  0
    4.8604   -5.0397   -0.3260 C   0  0  0  0  0
    6.1460   -4.7412   -0.6660 N   0  0  0  0  0
    6.8802   -5.7648   -1.1442 C   0  0  0  0  0
    6.3972   -7.0564   -1.3088 C   0  0  0  0  0
    5.0663   -7.3526   -0.9748 C   0  0  0  0  0
    4.2925   -6.3024   -0.4649 C   0  0  0  0  0
    4.4995   -8.7071   -1.1596 C   0  0  0  0  0
    3.5701   -9.2463   -0.2509 C   0  0  0  0  0
    3.0278  -10.5176   -0.4462 C   0  0  0  0  0
    3.3898  -11.2940   -1.5333 C   0  0  0  0  0
    4.3071  -10.7789   -2.4330 C   0  0  0  0  0
    4.8558   -9.5071   -2.2606 C   0  0  0  0  0
    4.6742  -11.5114   -3.4927 F   0  0  0  0  0
    2.1407  -10.9934    0.4360 F   0  0  0  0  0
    0.7214   -1.0820    2.1908 H   0  0  0  0  0
    0.4408    0.4366    1.3160 H   0  0  0  0  0
    1.1269    0.4591    2.9632 H   0  0  0  0  0
    5.9913   -0.4398   -0.0709 H   0  0  0  0  0
    5.1247    1.7949    0.5620 H   0  0  0  0  0
    2.8407    1.9855    1.5369 H   0  0  0  0  0
    5.6416   -2.7440   -0.2162 H   0  0  0  0  0
    7.9075   -5.5208   -1.4030 H   0  0  0  0  0
    7.0675   -7.8216   -1.6904 H   0  0  0  0  0
    3.2494   -6.4443   -0.1947 H   0  0  0  0  0
    3.2541   -8.6918    0.6299 H   0  0  0  0  0
    2.9641  -12.2794   -1.6770 H   0  0  0  0  0
    5.5523   -9.1516   -3.0158 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  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 28  1  0  0  0
  6  7  2  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  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 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 34  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL397121

>  <PubChem CID>
16730836

>  <Formula>
C18H13F2N3O

>  <Molecular Weight>
325.319000

>  <IUPAC Name>
4-(3,5-difluorophenyl)-N-(6-methylpyridin-2-yl)pyridine-2-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C18H13F2N3O/c1-11-3-2-4-17(22-11)23-18(24)16-9-12(5-6-21-16)13-7-14(19)10-15(20)8-13/h2-10H,1H3,(H,22,23,24)

>  <InChI Key>
CVBWBHLJBLFSFF-UHFFFAOYSA-N

