
 CHEMBL3228788

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.7417    1.9048   -2.3342 C   0  0  0  0  0
    3.1561    1.5576   -2.4861 N   0  0  0  0  0
    3.4348    1.2250   -3.8857 C   0  0  0  0  0
    4.0399    2.6614   -2.0512 C   0  0  0  0  0
    3.9728    2.9790   -0.5430 C   0  0  0  0  0
    4.9058    4.0409   -0.1608 N   0  0  0  0  0
    6.1595    3.7063    0.3143 C   0  0  0  0  0
    6.5725    2.5563    0.4531 O   0  0  0  0  0
    7.0652    4.8227    0.6835 C   0  0  0  0  0
    6.7107    6.1011    0.5243 C   0  0  0  0  0
    5.3997    6.4142   -0.0291 C   0  0  0  0  0
    4.5099    5.3881   -0.3657 C   0  0  0  0  0
    3.2849    5.6363   -0.8902 N   0  0  0  0  0
    2.9330    6.9263   -1.0801 C   0  0  0  0  0
    3.7489    8.0000   -0.7729 C   0  0  0  0  0
    5.0048    7.7374   -0.2376 C   0  0  0  0  0
    1.4742    2.0217   -1.2795 H   0  0  0  0  0
    1.1042    1.0988   -2.7163 H   0  0  0  0  0
    1.4816    2.8273   -2.8660 H   0  0  0  0  0
    2.8185    0.3792   -4.2114 H   0  0  0  0  0
    4.4786    0.9147   -4.0093 H   0  0  0  0  0
    3.2433    2.0698   -4.5578 H   0  0  0  0  0
    3.8301    3.5661   -2.6365 H   0  0  0  0  0
    5.0793    2.3867   -2.2769 H   0  0  0  0  0
    4.2184    2.0709    0.0217 H   0  0  0  0  0
    2.9644    3.2676   -0.2271 H   0  0  0  0  0
    8.0298    4.5369    1.0858 H   0  0  0  0  0
    7.3823    6.9072    0.7963 H   0  0  0  0  0
    1.9428    7.0781   -1.5010 H   0  0  0  0  0
    3.4149    9.0171   -0.9466 H   0  0  0  0  0
    5.6651    8.5638    0.0108 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  4  1  0  0  0
  2  3  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228788

>  <PubChem CID>
12674178

>  <Formula>
C12H15N3O

>  <Molecular Weight>
217.272000

>  <IUPAC Name>
1-[2-(dimethylamino)ethyl]-1,8-naphthyridin-2-one

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CCN1C(=O)C=CC2=C1N=CC=C2

>  <Isomeric SMILES>
CN(C)CCN1C(=O)C=CC2=C1N=CC=C2

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

>  <InChI Key>
KFKYRBTWIWZSSX-UHFFFAOYSA-N

