
 CHEMBL3701982

 42 44  0  0  0  0  0  0  0  0999 V2000
    8.2041    2.5929   -2.9108 C   0  0  0  0  0
    7.0047    1.9197   -2.3110 C   0  0  0  0  0
    5.8031    2.6315   -2.1730 C   0  0  0  0  0
    4.6886    2.0328   -1.5851 C   0  0  0  0  0
    4.7089    0.7450   -1.1853 N   0  0  0  0  0
    5.8718    0.0623   -1.3306 C   0  0  0  0  0
    7.0325    0.5973   -1.8705 C   0  0  0  0  0
    8.4428   -0.3832   -1.9793 Cl  0  0  0  0  0
    3.4753    2.7040   -1.4216 N   0  0  0  0  0
    3.1838    4.0524   -1.1309 C   0  0  0  0  0
    1.8867    4.5521   -1.3701 C   0  0  0  0  0
    1.5959    5.9085   -1.1195 C   0  0  0  0  0
    2.5734    6.7919   -0.6448 C   0  0  0  0  0
    3.8518    6.2786   -0.3920 C   0  0  0  0  0
    4.1489    4.9340   -0.6290 C   0  0  0  0  0
    2.3227    8.2720   -0.3953 C   0  0  0  0  0
    0.9643    8.8804   -0.8445 C   0  0  0  0  0
   -0.1734    8.5418    0.0339 N   0  0  0  0  0
    0.1897    8.8601    1.4239 C   0  0  0  0  0
    1.5120    8.2030    1.8413 C   0  0  0  0  0
    2.5909    8.6032    0.9843 O   0  0  0  0  0
    0.7898    3.6589   -1.8878 C   0  0  0  0  0
    7.9768    3.6204   -3.2156 H   0  0  0  0  0
    8.5425    2.0545   -3.8017 H   0  0  0  0  0
    9.0178    2.6407   -2.1798 H   0  0  0  0  0
    5.7324    3.6516   -2.5392 H   0  0  0  0  0
    5.8382   -0.9665   -0.9832 H   0  0  0  0  0
    2.8044    2.0586   -1.0167 H   0  0  0  0  0
    0.5835    6.2647   -1.2988 H   0  0  0  0  0
    4.6279    6.9302    0.0064 H   0  0  0  0  0
    5.1466    4.5841   -0.3809 H   0  0  0  0  0
    3.0901    8.8001   -0.9779 H   0  0  0  0  0
    0.7298    8.5832   -1.8725 H   0  0  0  0  0
    1.0643    9.9739   -0.8464 H   0  0  0  0  0
   -0.9847    9.0961   -0.2373 H   0  0  0  0  0
    0.2754    9.9487    1.5274 H   0  0  0  0  0
   -0.6125    8.5256    2.0894 H   0  0  0  0  0
    1.7718    8.5188    2.8570 H   0  0  0  0  0
    1.4297    7.1102    1.8523 H   0  0  0  0  0
   -0.1129    4.2291   -2.1321 H   0  0  0  0  0
    0.5209    2.9162   -1.1299 H   0  0  0  0  0
    1.1083    3.1492   -2.8028 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701982

>  <PubChem CID>
68325453

>  <Formula>
C17H20ClN3O

>  <Molecular Weight>
317.817000

>  <IUPAC Name>
5-chloro-4-methyl-N-(2-methyl-4-morpholin-2-ylphenyl)pyridin-2-amine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=NC=C1Cl)NC2=C(C=C(C=C2)C3CNCCO3)C

>  <Isomeric SMILES>
CC1=CC(=NC=C1Cl)NC2=C(C=C(C=C2)C3CNCCO3)C

>  <InChI Std. ID>
InChI=1S/C17H20ClN3O/c1-11-8-17(20-9-14(11)18)21-15-4-3-13(7-12(15)2)16-10-19-5-6-22-16/h3-4,7-9,16,19H,5-6,10H2,1-2H3,(H,20,21)

>  <InChI Key>
MBMKHZBDODIGFV-UHFFFAOYSA-N

