
 CHEMBL238385

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.6969   -0.6497    0.8876 C   0  0  0  0  0
    3.8596   -0.6549   -0.1039 C   0  0  0  0  0
    3.4677   -1.4606   -1.3624 C   0  0  0  0  0
    4.6004   -1.5588   -2.2309 O   0  0  0  0  0
    4.2906   -2.2517   -3.4311 C   0  0  0  0  0
    4.1609    0.7385   -0.4711 N   0  0  0  0  0
    5.4009    1.2429   -0.0965 C   0  0  0  0  0
    6.0755    1.8760   -1.0756 N   0  0  0  0  0
    7.2801    2.4191   -0.7684 C   0  0  0  0  0
    7.8503    2.3674    0.4915 C   0  0  0  0  0
    7.1361    1.7271    1.5010 C   0  0  0  0  0
    5.8920    1.1667    1.2031 C   0  0  0  0  0
    9.1658    2.9954    0.6986 C   0  0  0  0  0
    9.8142    3.5873   -0.1447 O   0  0  0  0  0
    9.6220    2.8503    1.9571 O   0  0  0  0  0
    2.9581   -0.1034    1.7998 H   0  0  0  0  0
    2.4215   -1.6703    1.1732 H   0  0  0  0  0
    1.8114   -0.1667    0.4583 H   0  0  0  0  0
    4.7297   -1.1453    0.3511 H   0  0  0  0  0
    2.6437   -0.9679   -1.8933 H   0  0  0  0  0
    3.1524   -2.4710   -1.0767 H   0  0  0  0  0
    5.1946   -2.2981   -4.0444 H   0  0  0  0  0
    3.5155   -1.7199   -3.9909 H   0  0  0  0  0
    3.9647   -3.2726   -3.2108 H   0  0  0  0  0
    4.1605    0.8726   -1.4853 H   0  0  0  0  0
    7.7802    2.9118   -1.5986 H   0  0  0  0  0
    7.5268    1.6647    2.5124 H   0  0  0  0  0
    5.3162    0.6863    1.9859 H   0  0  0  0  0
   10.4907    3.3039    1.9478 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  6  1  0  0  0
  2  3  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  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  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 27  1  0  0  0
 12 28  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL238385

>  <PubChem CID>
43187344

>  <Formula>
C10H14N2O3

>  <Molecular Weight>
210.233000

>  <IUPAC Name>
6-(1-methoxypropan-2-ylamino)pyridine-3-carboxylic acid

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(COC)NC1=NC=C(C=C1)C(=O)O

>  <Isomeric SMILES>
CC(COC)NC1=NC=C(C=C1)C(=O)O

>  <InChI Std. ID>
InChI=1S/C10H14N2O3/c1-7(6-15-2)12-9-4-3-8(5-11-9)10(13)14/h3-5,7H,6H2,1-2H3,(H,11,12)(H,13,14)

>  <InChI Key>
ADZABRAFVIBOQC-UHFFFAOYSA-N

