
 CHEMBL238387

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.7393    3.3377   -0.7737 C   0  0  0  0  0
    3.8367    2.7477   -1.6490 C   0  0  0  0  0
    4.5126    1.5259   -1.0158 C   0  0  0  0  0
    5.1564    1.8456    0.2717 N   0  0  0  0  0
    5.4218    0.6639    1.0992 C   0  0  0  0  0
    6.3382    2.6111    0.1481 C   0  0  0  0  0
    7.0321    2.6206   -1.0110 N   0  0  0  0  0
    8.1783    3.3469   -1.0684 C   0  0  0  0  0
    8.6801    4.0855   -0.0099 C   0  0  0  0  0
    7.9538    4.0902    1.1763 C   0  0  0  0  0
    6.7753    3.3483    1.2533 C   0  0  0  0  0
    9.9392    4.8455   -0.0990 C   0  0  0  0  0
   10.4300    5.5129    0.7913 O   0  0  0  0  0
   10.5397    4.7266   -1.2975 O   0  0  0  0  0
    2.2326    4.1508   -1.3031 H   0  0  0  0  0
    3.1477    3.7475    0.1553 H   0  0  0  0  0
    1.9904    2.5817   -0.5177 H   0  0  0  0  0
    4.5702    3.5279   -1.8792 H   0  0  0  0  0
    3.3937    2.4410   -2.6042 H   0  0  0  0  0
    5.2184    1.0674   -1.7205 H   0  0  0  0  0
    3.7330    0.7717   -0.8438 H   0  0  0  0  0
    4.5065    0.0735    1.2171 H   0  0  0  0  0
    5.7468    0.9376    2.1092 H   0  0  0  0  0
    6.1835    0.0188    0.6444 H   0  0  0  0  0
    8.6875    3.3025   -2.0255 H   0  0  0  0  0
    8.2938    4.6615    2.0364 H   0  0  0  0  0
    6.1899    3.3532    2.1674 H   0  0  0  0  0
   11.3548    5.2656   -1.2089 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL238387

>  <PubChem CID>
43271548

>  <Formula>
C10H14N2O2

>  <Molecular Weight>
194.234000

>  <IUPAC Name>
6-[methyl(propyl)amino]pyridine-3-carboxylic acid

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(C)C1=NC=C(C=C1)C(=O)O

>  <Isomeric SMILES>
CCCN(C)C1=NC=C(C=C1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H14N2O2/c1-3-6-12(2)9-5-4-8(7-11-9)10(13)14/h4-5,7H,3,6H2,1-2H3,(H,13,14)

>  <InChI Key>
AJWIZXYVDOQHND-UHFFFAOYSA-N

