
 CHEMBL3911641

 42 43  0  0  0  0  0  0  0  0999 V2000
    8.1923    0.1302   -2.6674 C   0  0  0  0  0
    7.2752   -0.4644   -1.6041 C   0  0  0  0  0
    6.1503    0.4705   -1.0730 C   0  0  0  0  0
    5.3015    1.0318   -2.2263 C   0  0  0  0  0
    5.2176   -0.3930   -0.1663 C   0  0  0  0  0
    5.8932   -0.8321    1.0108 O   0  0  0  0  0
    6.7798    1.5881   -0.3328 N   0  0  0  0  0
    6.1266    2.4577    0.5126 C   0  0  0  0  0
    4.9809    2.3043    0.9106 O   0  0  0  0  0
    6.9429    3.6250    0.9756 C   0  0  0  0  0
    8.1442    3.8080    0.3666 N   0  0  0  0  0
    8.8649    4.8689    0.8033 C   0  0  0  0  0
    8.4628    5.7246    1.8242 C   0  0  0  0  0
    7.2356    5.4873    2.4541 C   0  0  0  0  0
    6.4503    4.4309    1.9984 C   0  0  0  0  0
    6.8706    6.3435    3.4590 O   0  0  0  0  0
    5.9947    5.8746    4.4881 C   0  0  0  0  0
    6.7811    5.3994    5.6734 C   0  0  0  0  0
    6.4557    4.0667    6.3061 C   0  0  0  0  0
    7.7651    4.2564    5.5972 C   0  0  0  0  0
    9.4972    7.0240    2.2851 Cl  0  0  0  0  0
    8.9654   -0.5985   -2.9336 H   0  0  0  0  0
    8.6978    1.0328   -2.3144 H   0  0  0  0  0
    7.6437    0.3707   -3.5823 H   0  0  0  0  0
    7.9014   -0.7908   -0.7636 H   0  0  0  0  0
    6.8250   -1.3717   -2.0272 H   0  0  0  0  0
    5.8837    1.6981   -2.8718 H   0  0  0  0  0
    4.4579    1.6208   -1.8480 H   0  0  0  0  0
    4.8928    0.2256   -2.8459 H   0  0  0  0  0
    4.8797   -1.2858   -0.7048 H   0  0  0  0  0
    4.3127    0.1428    0.1378 H   0  0  0  0  0
    6.0738   -0.0165    1.5130 H   0  0  0  0  0
    7.6892    1.9227   -0.6423 H   0  0  0  0  0
    9.8131    5.0185    0.2928 H   0  0  0  0  0
    5.4690    4.2123    2.3999 H   0  0  0  0  0
    5.2655    5.1332    4.1545 H   0  0  0  0  0
    5.3993    6.7402    4.8023 H   0  0  0  0  0
    7.0432    6.2243    6.3278 H   0  0  0  0  0
    5.7247    3.4190    5.8340 H   0  0  0  0  0
    6.4687    3.9975    7.3880 H   0  0  0  0  0
    8.6636    4.3294    6.2012 H   0  0  0  0  0
    7.9125    3.7373    4.6592 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  7  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 21  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3911641

>  <PubChem CID>
76283214

>  <Formula>
C15H21ClN2O3

>  <Molecular Weight>
312.794000

>  <IUPAC Name>
5-chloro-4-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)(CO)NC(=O)C1=NC=C(C(=C1)OCC2CC2)Cl

>  <Isomeric SMILES>
CCC(C)(CO)NC(=O)C1=NC=C(C(=C1)OCC2CC2)Cl

>  <InChI Std. ID>
InChI=1S/C15H21ClN2O3/c1-3-15(2,9-19)18-14(20)12-6-13(11(16)7-17-12)21-8-10-4-5-10/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,18,20)

>  <InChI Key>
ADHFKNOBBGUGEH-UHFFFAOYSA-N

