
 CHEMBL3228804

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.2793    0.0329   -0.1069 C   0  0  0  0  0
    1.7784    0.1325   -0.1630 C   0  0  0  0  0
    2.3656    1.3852   -0.3768 C   0  0  0  0  0
    3.7493    1.4912   -0.4307 C   0  0  0  0  0
    4.5642    0.4270   -0.2748 N   0  0  0  0  0
    4.0076   -0.7886   -0.0618 C   0  0  0  0  0
    2.6187   -0.9852   -0.0087 C   0  0  0  0  0
    2.0984   -2.3371    0.2022 C   0  0  0  0  0
    2.9395   -3.3680    0.3225 C   0  0  0  0  0
    4.4076   -3.1878    0.2596 C   0  0  0  0  0
    5.1218   -4.1849    0.3395 O   0  0  0  0  0
    4.8763   -1.8981    0.1114 N   0  0  0  0  0
    6.3200   -1.6738    0.0555 C   0  0  0  0  0
    6.8745   -1.8182   -1.3706 C   0  0  0  0  0
    8.3342   -1.6862   -1.4155 N   0  0  0  0  0
    4.3970    2.8240   -0.6591 C   0  0  0  0  0
   -0.1945    1.0128   -0.2309 H   0  0  0  0  0
   -0.0403   -0.3624    0.8628 H   0  0  0  0  0
   -0.0904   -0.6139   -0.9088 H   0  0  0  0  0
    1.7519    2.2730   -0.5016 H   0  0  0  0  0
    1.0294   -2.5027    0.2528 H   0  0  0  0  0
    2.5908   -4.3829    0.4706 H   0  0  0  0  0
    6.8053   -2.4157    0.7035 H   0  0  0  0  0
    6.5747   -0.6962    0.4821 H   0  0  0  0  0
    6.4302   -1.0582   -2.0225 H   0  0  0  0  0
    6.5970   -2.7949   -1.7830 H   0  0  0  0  0
    8.7536   -2.4334   -0.8617 H   0  0  0  0  0
    8.6487   -1.8361   -2.3732 H   0  0  0  0  0
    4.0437    3.2612   -1.5981 H   0  0  0  0  0
    5.4854    2.7228   -0.7197 H   0  0  0  0  0
    4.1620    3.5036    0.1657 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  2  0  0  0
  4 16  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 21  1  0  0  0
  9 10  1  0  0  0
  9 22  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 23  1  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 14 26  1  0  0  0
 15 27  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
M  END

>  <Chemical Name>
CHEMBL3228804

>  <PubChem CID>
23335372

>  <Formula>
C12H15N3O

>  <Molecular Weight>
217.272000

>  <IUPAC Name>
1-(2-aminoethyl)-5,7-dimethyl-1,8-naphthyridin-2-one

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN)C

>  <InChI Std. ID>
InChI=1S/C12H15N3O/c1-8-7-9(2)14-12-10(8)3-4-11(16)15(12)6-5-13/h3-4,7H,5-6,13H2,1-2H3

>  <InChI Key>
MTQSYXPWZZWFQF-UHFFFAOYSA-N

