
 CHEMBL594296

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.6386    5.7775   -5.4183 C   0  0  0  0  0
    4.2218    4.4726   -4.8681 C   0  0  0  0  0
    5.1895    4.7243   -3.7056 C   0  0  0  0  0
    4.4574    5.1331   -2.4293 C   0  0  0  0  0
    3.3629    4.1325   -2.0711 C   0  0  0  0  0
    2.4523    3.8941   -3.1941 N   0  0  0  0  0
    3.1084    3.5058   -4.4467 C   0  0  0  0  0
    1.1597    3.3856   -3.0111 C   0  0  0  0  0
    0.6155    2.6428   -3.8259 O   0  0  0  0  0
    0.3560    3.7627   -1.8299 C   0  0  0  0  0
   -0.5213    2.8324   -1.2739 C   0  0  0  0  0
   -1.4057    3.2263   -0.2666 C   0  0  0  0  0
   -1.3833    4.5581    0.1772 C   0  0  0  0  0
   -0.5281    5.4687   -0.3599 N   0  0  0  0  0
    0.3001    5.0619   -1.3575 C   0  0  0  0  0
   -2.2884    5.1036    1.1010 N   0  0  0  0  0
   -2.7159    4.5940    2.3434 C   0  0  0  0  0
   -3.9778    4.9819    2.8172 C   0  0  0  0  0
   -4.4354    4.5668    4.0704 C   0  0  0  0  0
   -3.6170    3.7787    4.8730 C   0  0  0  0  0
   -2.3469    3.4103    4.4340 C   0  0  0  0  0
   -1.8944    3.8263    3.1764 C   0  0  0  0  0
   -4.1703    3.2705    6.4210 Cl  0  0  0  0  0
   -2.5440    2.0496    0.2848 Cl  0  0  0  0  0
    3.0194    5.5781   -6.2998 H   0  0  0  0  0
    4.4387    6.4598   -5.7243 H   0  0  0  0  0
    3.0135    6.2942   -4.6838 H   0  0  0  0  0
    4.7858    4.0061   -5.6864 H   0  0  0  0  0
    5.9242    5.4913   -3.9771 H   0  0  0  0  0
    5.7550    3.8040   -3.5100 H   0  0  0  0  0
    5.1738    5.2086   -1.6037 H   0  0  0  0  0
    4.0171    6.1286   -2.5597 H   0  0  0  0  0
    3.8061    3.1640   -1.8070 H   0  0  0  0  0
    2.8274    4.4767   -1.1847 H   0  0  0  0  0
    3.5219    2.5005   -4.2940 H   0  0  0  0  0
    2.3670    3.4260   -5.2508 H   0  0  0  0  0
   -0.5530    1.8178   -1.6660 H   0  0  0  0  0
    0.9066    5.8513   -1.7935 H   0  0  0  0  0
   -2.0251    6.0834    1.1959 H   0  0  0  0  0
   -4.6231    5.5973    2.1936 H   0  0  0  0  0
   -5.4248    4.8617    4.4086 H   0  0  0  0  0
   -1.7020    2.8054    5.0658 H   0  0  0  0  0
   -0.8938    3.5453    2.8604 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  7  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL594296

>  <PubChem CID>
46226029

>  <Formula>
C18H19Cl2N3O

>  <Molecular Weight>
364.270000

>  <IUPAC Name>
[5-chloro-6-(4-chloroanilino)pyridin-3-yl]-(3-methylpiperidin-1-yl)methanone

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCN(C1)C(=O)C2=CC(=C(N=C2)NC3=CC=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CC1CCCN(C1)C(=O)C2=CC(=C(N=C2)NC3=CC=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C18H19Cl2N3O/c1-12-3-2-8-23(11-12)18(24)13-9-16(20)17(21-10-13)22-15-6-4-14(19)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,22)

>  <InChI Key>
AKRBCPCYMFKJLQ-UHFFFAOYSA-N

