
 CHEMBL3911884

 42 43  0  0  0  0  0  0  0  0999 V2000
    1.0550    0.6593    1.5638 C   0  0  0  0  0
    2.5410    0.9589    1.4015 C   0  0  0  0  0
    3.0258    1.2200   -0.0509 C   0  0  0  0  0
    2.7597   -0.0204   -0.9292 C   0  0  0  0  0
    2.2884    2.4373   -0.6774 C   0  0  0  0  0
    2.8213    2.7461   -1.9678 O   0  0  0  0  0
    4.4924    1.4493   -0.0498 N   0  0  0  0  0
    5.1263    2.5045    0.5714 C   0  0  0  0  0
    4.5426    3.4045    1.1660 O   0  0  0  0  0
    6.6176    2.5146    0.4487 C   0  0  0  0  0
    7.1807    1.5361   -0.3136 N   0  0  0  0  0
    8.5322    1.5864   -0.4434 C   0  0  0  0  0
    9.3390    2.5612    0.1308 C   0  0  0  0  0
    8.7185    3.5571    0.8823 C   0  0  0  0  0
    7.3394    3.5236    1.0715 C   0  0  0  0  0
    9.4668    4.5285    1.4970 O   0  0  0  0  0
    9.2270    5.8176    0.9161 C   0  0  0  0  0
    9.9809    6.8428    1.7062 C   0  0  0  0  0
   11.2725    7.4293    1.1956 C   0  0  0  0  0
   10.0262    8.2702    1.2218 C   0  0  0  0  0
   11.0400    2.5259   -0.1181 Cl  0  0  0  0  0
    0.8253    0.4934    2.6219 H   0  0  0  0  0
    0.7603   -0.2420    1.0198 H   0  0  0  0  0
    0.4358    1.4938    1.2230 H   0  0  0  0  0
    3.1102    0.1210    1.8255 H   0  0  0  0  0
    2.7723    1.8242    2.0340 H   0  0  0  0  0
    3.1751   -0.9245   -0.4693 H   0  0  0  0  0
    3.2264    0.0818   -1.9159 H   0  0  0  0  0
    1.6886   -0.1839   -1.0895 H   0  0  0  0  0
    2.3709    3.3343   -0.0564 H   0  0  0  0  0
    1.2222    2.2304   -0.8122 H   0  0  0  0  0
    3.7764    2.8751   -1.8258 H   0  0  0  0  0
    5.1053    0.7545   -0.4716 H   0  0  0  0  0
    8.9639    0.7932   -1.0494 H   0  0  0  0  0
    6.8365    4.2626    1.6864 H   0  0  0  0  0
    8.1620    6.0741    0.9563 H   0  0  0  0  0
    9.5512    5.8124   -0.1323 H   0  0  0  0  0
    9.8746    6.6893    2.7746 H   0  0  0  0  0
   11.6485    7.1066    0.2315 H   0  0  0  0  0
   12.0490    7.6510    1.9194 H   0  0  0  0  0
    9.9582    9.0578    1.9643 H   0  0  0  0  0
    9.5584    8.5153    0.2749 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>
CHEMBL3911884

>  <PubChem CID>
134132654

>  <Formula>
C15H21ClN2O3

>  <Molecular Weight>
312.794000

>  <IUPAC Name>
5-chloro-4-(cyclopropylmethoxy)-N-[(2S)-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>
CC[C@@](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)/t15-/m0/s1

>  <InChI Key>
ADHFKNOBBGUGEH-HNNXBMFYSA-N

