
 UNII-J5PMS063XX

 48 50  0  0  0  0  0  0  0  0999 V2000
    2.0813   -1.3697   -1.7574 C   0  0  0  0  0
    1.2767   -0.1617   -1.3002 C   0  0  0  0  0
    0.8812   -0.2292    0.1877 C   0  0  0  0  0
   -0.0274    0.9457    0.5884 C   0  0  0  0  0
   -0.5636    0.7417    2.0102 C   0  0  0  0  0
    0.5578    0.4461    3.0091 C   0  0  0  0  0
    1.4786   -0.6733    2.5138 C   0  0  0  0  0
    1.9813   -0.3552    1.1702 N   0  0  0  0  0
    3.1138    0.4655    1.0417 C   0  0  0  0  0
    3.2119    1.3712    0.2154 O   0  0  0  0  0
    4.2894    0.2447    1.9141 C   0  0  0  0  0
    5.1043    1.3239    2.2509 C   0  0  0  0  0
    6.2418    1.1043    3.0254 C   0  0  0  0  0
    6.5619   -0.1987    3.4503 C   0  0  0  0  0
    5.7746   -1.2480    3.1119 N   0  0  0  0  0
    4.6825   -1.0143    2.3375 C   0  0  0  0  0
    7.7042   -0.3905    4.2660 N   0  0  0  0  0
    8.2111   -1.5715    4.8371 C   0  0  0  0  0
    7.4506   -2.6966    5.1455 C   0  0  0  0  0
    7.9317   -3.8282    5.7276 N   0  0  0  0  0
    9.2450   -3.8538    6.0414 C   0  0  0  0  0
   10.0838   -2.7705    5.8124 C   0  0  0  0  0
    9.5556   -1.6226    5.2200 C   0  0  0  0  0
    9.7849   -5.1108    6.6531 C   0  0  0  0  0
    7.2530    2.4546    3.4068 Cl  0  0  0  0  0
    2.3011   -1.2897   -2.8270 H   0  0  0  0  0
    1.5189   -2.2953   -1.5986 H   0  0  0  0  0
    3.0330   -1.4465   -1.2242 H   0  0  0  0  0
    0.3598   -0.1193   -1.9026 H   0  0  0  0  0
    1.8243    0.7543   -1.5393 H   0  0  0  0  0
    0.2927   -1.1526    0.2917 H   0  0  0  0  0
   -0.8718    1.0319   -0.1051 H   0  0  0  0  0
    0.5271    1.8909    0.5423 H   0  0  0  0  0
   -1.1211    1.6295    2.3286 H   0  0  0  0  0
   -1.2721   -0.0962    2.0088 H   0  0  0  0  0
    1.1455    1.3594    3.1641 H   0  0  0  0  0
    0.1275    0.1705    3.9782 H   0  0  0  0  0
    2.2867   -0.8018    3.2352 H   0  0  0  0  0
    0.9365   -1.6245    2.4556 H   0  0  0  0  0
    4.8614    2.3230    1.8971 H   0  0  0  0  0
    4.1268   -1.9068    2.0619 H   0  0  0  0  0
    8.4349    0.2604    3.9941 H   0  0  0  0  0
    6.3849   -2.7315    4.9433 H   0  0  0  0  0
   11.1329   -2.8120    6.0862 H   0  0  0  0  0
   10.2119   -0.7736    5.0502 H   0  0  0  0  0
   10.2084   -4.9014    7.6402 H   0  0  0  0  0
   10.5621   -5.5378    6.0115 H   0  0  0  0  0
    8.9937   -5.8580    6.7722 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
UNII-J5PMS063XX

>  <PubChem CID>
23725699

>  <Formula>
C19H23ClN4O

>  <Molecular Weight>
358.870000

>  <IUPAC Name>
[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]-[(2R)-2-ethylpiperidin-1-yl]methanone

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1CCCCN1C(=O)C2=CC(=C(N=C2)NC3=CN=C(C=C3)C)Cl

>  <Isomeric SMILES>
CC[C@@H]1CCCCN1C(=O)C2=CC(=C(N=C2)NC3=CN=C(C=C3)C)Cl

>  <InChI Std. ID>
InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1

>  <InChI Key>
QABUURICQJOWID-MRXNPFEDSA-N

