
 AC1NSAWC

 39 41  0  0  0  0  0  0  0  0999 V2000
   -2.9305    1.2496    3.0661 C   0  0  0  0  0
   -3.0659   -0.1261    3.1614 C   0  0  0  0  0
   -2.4891   -0.9506    2.1918 C   0  0  0  0  0
   -1.7647   -0.4310    1.0862 C   0  0  0  0  0
   -1.6240    0.9806    1.0253 C   0  0  0  0  0
   -2.2113    1.7975    2.0069 C   0  0  0  0  0
   -0.8894    1.5736   -0.0127 C   0  0  0  0  0
   -0.2778    0.8018   -0.9974 C   0  0  0  0  0
   -0.4087   -0.5810   -0.9619 C   0  0  0  0  0
   -1.1519   -1.2057    0.0533 C   0  0  0  0  0
   -1.2696   -2.6832   -0.0372 C   0  0  0  0  0
   -2.2989   -3.3218    0.4194 N   0  0  0  0  0
   -2.2909   -4.6706    0.2621 N   0  0  0  0  0
   -3.2773   -5.4821    0.7915 C   0  0  0  0  0
   -3.1280   -6.7020    0.8490 O   0  0  0  0  0
   -4.5209   -4.8716    1.3162 C   0  0  0  0  0
   -5.1264   -5.4381    2.4281 C   0  0  0  0  0
   -6.2626   -4.9601    3.0015 N   0  0  0  0  0
   -6.8237   -3.8579    2.4423 C   0  0  0  0  0
   -6.3085   -3.2558    1.2968 C   0  0  0  0  0
   -5.1478   -3.7742    0.7263 C   0  0  0  0  0
   -8.1001   -3.3376    3.0568 C   0  0  0  0  0
   -9.2320   -3.8317    2.3466 O   0  0  0  0  0
    0.1794   -1.3316   -1.9454 O   0  0  0  0  0
   -3.3757    1.8964    3.8174 H   0  0  0  0  0
   -3.6154   -0.5679    3.9889 H   0  0  0  0  0
   -2.6119   -2.0220    2.3276 H   0  0  0  0  0
   -2.1086    2.8800    1.9574 H   0  0  0  0  0
   -0.7811    2.6563   -0.0575 H   0  0  0  0  0
    0.2864    1.2991   -1.7807 H   0  0  0  0  0
   -0.4497   -3.2192   -0.5488 H   0  0  0  0  0
   -1.4525   -5.1383   -0.0691 H   0  0  0  0  0
   -4.7025   -6.3142    2.9131 H   0  0  0  0  0
   -6.8037   -2.4002    0.8476 H   0  0  0  0  0
   -4.7433   -3.3176   -0.1725 H   0  0  0  0  0
   -8.1223   -2.2432    3.0455 H   0  0  0  0  0
   -8.1794   -3.6645    4.0988 H   0  0  0  0  0
   -9.0298   -4.7624    2.1384 H   0  0  0  0  0
    0.6022   -0.7403   -2.5916 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 34  1  0  0  0
 21 35  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
AC1NSAWC

>  <PubChem CID>
135403085

>  <Formula>
C18H15N3O3

>  <Molecular Weight>
321.336000

>  <IUPAC Name>
6-(hydroxymethyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CN=C(C=C3)CO)O

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CN=C(C=C3)CO)O

>  <InChI Std. ID>
InChI=1S/C18H15N3O3/c22-11-14-7-5-13(9-19-14)18(24)21-20-10-16-15-4-2-1-3-12(15)6-8-17(16)23/h1-10,22-23H,11H2,(H,21,24)/b20-10+

>  <InChI Key>
HQJNJFVJKALQGS-KEBDBYFISA-N

