
 CHEMBL469121

 37 39  0  0  0  0  0  0  0  0999 V2000
    4.2349   -8.6193    2.1292 C   0  0  0  0  0
    3.4898   -7.3442    2.3870 C   0  0  0  0  0
    3.8561   -6.2624    1.6609 N   0  0  0  0  0
    3.1766   -5.1122    1.8109 C   0  0  0  0  0
    2.1311   -4.9957    2.7183 C   0  0  0  0  0
    1.7574   -6.1108    3.4656 C   0  0  0  0  0
    2.4390   -7.3091    3.2917 C   0  0  0  0  0
    3.5025   -3.9843    1.0479 N   0  0  0  0  0
    4.4502   -3.8278    0.0633 C   0  0  0  0  0
    4.7078   -2.7032   -0.3633 O   0  0  0  0  0
    5.1689   -4.9787   -0.5171 C   0  0  0  0  0
    6.5599   -4.9866   -0.4838 C   0  0  0  0  0
    7.2463   -6.1032   -0.9578 C   0  0  0  0  0
    6.5843   -7.2352   -1.4742 C   0  0  0  0  0
    5.1800   -7.1591   -1.5649 C   0  0  0  0  0
    4.4786   -6.0351   -1.1139 C   0  0  0  0  0
    7.3067   -8.4688   -1.8621 C   0  0  0  0  0
    8.4632   -8.8980   -1.2016 C   0  0  0  0  0
    9.1465  -10.0405   -1.4720 N   0  0  0  0  0
    8.6609  -10.8157   -2.4592 C   0  0  0  0  0
    7.5282  -10.5015   -3.1859 C   0  0  0  0  0
    6.8538   -9.3173   -2.8849 C   0  0  0  0  0
    8.5868   -6.0726   -0.8942 F   0  0  0  0  0
    5.1630   -8.4227    1.5825 H   0  0  0  0  0
    3.6189   -9.2957    1.5284 H   0  0  0  0  0
    4.4971   -9.1118    3.0705 H   0  0  0  0  0
    1.5934   -4.0622    2.8435 H   0  0  0  0  0
    0.9341   -6.0475    4.1715 H   0  0  0  0  0
    2.1539   -8.1939    3.8515 H   0  0  0  0  0
    3.0434   -3.1164    1.2857 H   0  0  0  0  0
    7.1132   -4.1498   -0.0688 H   0  0  0  0  0
    4.5985   -7.9977   -1.9414 H   0  0  0  0  0
    3.3927   -6.0205   -1.1651 H   0  0  0  0  0
    8.8928   -8.3258   -0.3824 H   0  0  0  0  0
    9.2225  -11.7240   -2.6562 H   0  0  0  0  0
    7.1746  -11.1615   -3.9699 H   0  0  0  0  0
    5.9699   -9.0676   -3.4664 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  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 27  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  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 31  1  0  0  0
 13 14  2  0  0  0
 13 23  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  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
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL469121

>  <PubChem CID>
44157096

>  <Formula>
C18H14FN3O

>  <Molecular Weight>
307.328000

>  <IUPAC Name>
3-fluoro-N-(6-methylpyridin-2-yl)-4-pyridin-3-ylbenzamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C18H14FN3O/c1-12-4-2-6-17(21-12)22-18(23)13-7-8-15(16(19)10-13)14-5-3-9-20-11-14/h2-11H,1H3,(H,21,22,23)

>  <InChI Key>
BTOSORCOSTXHOT-UHFFFAOYSA-N

