
 CHEMBL3228805

 34 35  0  0  0  0  0  0  0  0999 V2000
   -0.4153    0.0250   -0.2439 C   0  0  0  0  0
    1.0798    0.1769   -0.1949 C   0  0  0  0  0
    1.6322    1.4611   -0.2666 C   0  0  0  0  0
    3.0122    1.6150   -0.2353 C   0  0  0  0  0
    3.8565    0.5677   -0.1202 N   0  0  0  0  0
    3.3320   -0.6802   -0.0528 C   0  0  0  0  0
    1.9495   -0.9227   -0.0806 C   0  0  0  0  0
    1.4663   -2.3009    0.0139 C   0  0  0  0  0
    2.3337   -3.3074    0.1498 C   0  0  0  0  0
    3.7952   -3.0768    0.2002 C   0  0  0  0  0
    4.5305   -4.0475    0.3644 O   0  0  0  0  0
    4.2304   -1.7750    0.0554 N   0  0  0  0  0
    5.6660   -1.4976    0.0882 C   0  0  0  0  0
    6.1750   -1.2244    1.5141 C   0  0  0  0  0
    7.5937   -0.8365    1.5077 N   0  0  0  0  0
    8.0858   -0.6442    2.8648 C   0  0  0  0  0
    3.6236    2.9831   -0.2834 C   0  0  0  0  0
   -0.9160    0.9947   -0.3390 H   0  0  0  0  0
   -0.7821   -0.4439    0.6748 H   0  0  0  0  0
   -0.7083   -0.5791   -1.1088 H   0  0  0  0  0
    0.9932    2.3362   -0.3494 H   0  0  0  0  0
    0.4031   -2.5047   -0.0202 H   0  0  0  0  0
    2.0131   -4.3391    0.2305 H   0  0  0  0  0
    5.8989   -0.6628   -0.5841 H   0  0  0  0  0
    6.2006   -2.3652   -0.3196 H   0  0  0  0  0
    6.0367   -2.1293    2.1189 H   0  0  0  0  0
    5.5778   -0.4288    1.9762 H   0  0  0  0  0
    7.6930    0.0358    0.9876 H   0  0  0  0  0
    8.0346   -1.5749    3.4388 H   0  0  0  0  0
    7.5240    0.1340    3.3913 H   0  0  0  0  0
    9.1355   -0.3367    2.8309 H   0  0  0  0  0
    3.1116    3.6112   -1.0194 H   0  0  0  0  0
    4.6786    2.9242   -0.5701 H   0  0  0  0  0
    3.5560    3.4563    0.7009 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228805

>  <PubChem CID>
23335383

>  <Formula>
C13H17N3O

>  <Molecular Weight>
231.299000

>  <IUPAC Name>
5,7-dimethyl-1-[2-(methylamino)ethyl]-1,8-naphthyridin-2-one

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCNC)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCNC)C

>  <InChI Std. ID>
InChI=1S/C13H17N3O/c1-9-8-10(2)15-13-11(9)4-5-12(17)16(13)7-6-14-3/h4-5,8,14H,6-7H2,1-3H3

>  <InChI Key>
JKWJCHYINBNYTQ-UHFFFAOYSA-N

