
 VU 0361737

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.9239    1.7628    0.9802 C   0  0  0  0  0
    1.3925    3.0870    0.7468 O   0  0  0  0  0
    2.6281    3.2011    0.1603 C   0  0  0  0  0
    2.9059    4.3889   -0.5286 C   0  0  0  0  0
    4.1490    4.5787   -1.1348 C   0  0  0  0  0
    5.1281    3.5857   -1.0496 C   0  0  0  0  0
    4.8717    2.3959   -0.3607 C   0  0  0  0  0
    3.6242    2.2184    0.2493 C   0  0  0  0  0
    5.8995    1.4347   -0.3207 N   0  0  0  0  0
    5.8460    0.1554    0.2041 C   0  0  0  0  0
    4.8824   -0.3828    0.7391 O   0  0  0  0  0
    7.1281   -0.6063    0.0484 C   0  0  0  0  0
    7.1963   -1.9311    0.4660 C   0  0  0  0  0
    8.3955   -2.6131    0.2952 C   0  0  0  0  0
    9.4784   -1.9531   -0.2774 C   0  0  0  0  0
    9.3192   -0.6290   -0.6640 C   0  0  0  0  0
    8.1695    0.0667   -0.5212 N   0  0  0  0  0
    1.7293    5.6472   -0.6731 Cl  0  0  0  0  0
    1.4573    1.2962    1.8142 H   0  0  0  0  0
    0.9919    1.1506    0.0742 H   0  0  0  0  0
   -0.1319    1.8278    1.2603 H   0  0  0  0  0
    4.3586    5.4966   -1.6778 H   0  0  0  0  0
    6.0869    3.7540   -1.5335 H   0  0  0  0  0
    3.4315    1.3192    0.8198 H   0  0  0  0  0
    6.7921    1.6678   -0.7519 H   0  0  0  0  0
    6.3343   -2.4205    0.9087 H   0  0  0  0  0
    8.4834   -3.6511    0.6060 H   0  0  0  0  0
   10.4263   -2.4606   -0.4200 H   0  0  0  0  0
   10.1442   -0.0803   -1.1110 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  2  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 17  2  0  0  0
 16 29  1  0  0  0
M  END

>  <Chemical Name>
VU 0361737

>  <PubChem CID>
44191096

>  <Formula>
C13H11ClN2O2

>  <Molecular Weight>
262.693000

>  <IUPAC Name>
N-(4-chloro-3-methoxyphenyl)pyridine-2-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)Cl

>  <InChI Std. ID>
InChI=1S/C13H11ClN2O2/c1-18-12-8-9(5-6-10(12)14)16-13(17)11-4-2-3-7-15-11/h2-8H,1H3,(H,16,17)

>  <InChI Key>
ARYUXFNGXHNNDM-UHFFFAOYSA-N

