
 CHEMBL3228816

 43 44  0  0  0  0  0  0  0  0999 V2000
    3.5672    4.2145   -0.8946 C   0  0  0  0  0
    2.1750    3.6453   -1.1866 C   0  0  0  0  0
    1.6860    4.1391   -2.5530 C   0  0  0  0  0
    1.9788    2.1964   -0.9688 N   0  0  0  0  0
    1.9703    1.8217    0.4713 C   0  0  0  0  0
    0.8370    2.4418    1.3206 C   0  0  0  0  0
    0.8294    1.9162    2.6865 N   0  0  0  0  0
    1.6474    2.5042    3.6342 C   0  0  0  0  0
    2.3837    3.4655    3.4184 O   0  0  0  0  0
    1.6257    1.9283    5.0017 C   0  0  0  0  0
    0.8898    0.8570    5.3030 C   0  0  0  0  0
    0.0787    0.2318    4.2650 C   0  0  0  0  0
    0.0563    0.7610    2.9696 C   0  0  0  0  0
   -0.6781    0.2058    1.9773 N   0  0  0  0  0
   -1.4086   -0.8907    2.2716 C   0  0  0  0  0
   -1.4451   -1.4778    3.5237 C   0  0  0  0  0
   -0.6856   -0.9051    4.5370 C   0  0  0  0  0
    2.7465    1.2040   -1.7564 C   0  0  0  0  0
    2.3693    1.1558   -3.2413 C   0  0  0  0  0
    4.2710    1.2223   -1.6022 C   0  0  0  0  0
    3.9849    3.8305    0.0401 H   0  0  0  0  0
    3.5090    5.3047   -0.7903 H   0  0  0  0  0
    4.2732    4.0166   -1.7046 H   0  0  0  0  0
    1.4999    4.1593   -0.4945 H   0  0  0  0  0
    0.7151    3.7017   -2.8101 H   0  0  0  0  0
    2.3972    3.9317   -3.3550 H   0  0  0  0  0
    1.5492    5.2276   -2.5298 H   0  0  0  0  0
    2.9383    2.0437    0.9354 H   0  0  0  0  0
    1.8478    0.7330    0.5537 H   0  0  0  0  0
   -0.1385    2.2882    0.8464 H   0  0  0  0  0
    0.9724    3.5263    1.3960 H   0  0  0  0  0
    2.2502    2.4249    5.7342 H   0  0  0  0  0
    0.8851    0.4420    6.3045 H   0  0  0  0  0
   -1.9844   -1.2980    1.4450 H   0  0  0  0  0
   -2.0493   -2.3590    3.7052 H   0  0  0  0  0
   -0.6944   -1.3482    5.5299 H   0  0  0  0  0
    2.4265    0.2176   -1.3906 H   0  0  0  0  0
    2.8393    1.9539   -3.8203 H   0  0  0  0  0
    1.2836    1.2023   -3.3786 H   0  0  0  0  0
    2.7086    0.2097   -3.6814 H   0  0  0  0  0
    4.7358    2.0148   -2.1937 H   0  0  0  0  0
    4.6922    0.2759   -1.9604 H   0  0  0  0  0
    4.5787    1.3320   -0.5588 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4 18  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 36  1  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228816

>  <PubChem CID>
90654327

>  <Formula>
C16H23N3O

>  <Molecular Weight>
273.380000

>  <IUPAC Name>
1-[2-[di(propan-2-yl)amino]ethyl]-1,8-naphthyridin-2-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C16H23N3O/c1-12(2)18(13(3)4)10-11-19-15(20)8-7-14-6-5-9-17-16(14)19/h5-9,12-13H,10-11H2,1-4H3

>  <InChI Key>
NUAWZJHXTTWCPG-UHFFFAOYSA-N

