
 CHEMBL3228811

 56 58  0  0  0  0  0  0  0  0999 V2000
    0.8534   -3.2937    2.1570 C   0  0  0  0  0
    2.2315   -2.7703    1.8611 C   0  0  0  0  0
    2.6046   -1.5247    2.3745 C   0  0  0  0  0
    3.8729   -1.0255    2.1030 C   0  0  0  0  0
    4.7616   -1.6844    1.3282 N   0  0  0  0  0
    4.4128   -2.8924    0.8259 C   0  0  0  0  0
    3.1625   -3.4807    1.0810 C   0  0  0  0  0
    2.8724   -4.8057    0.5324 C   0  0  0  0  0
    3.7870   -5.4398   -0.2049 C   0  0  0  0  0
    5.1027   -4.8348   -0.5075 C   0  0  0  0  0
    5.8900   -5.4781   -1.1972 O   0  0  0  0  0
    5.3494   -3.5739    0.0020 N   0  0  0  0  0
    6.6273   -2.9209   -0.3084 C   0  0  0  0  0
    7.7105   -3.1786    0.7650 C   0  0  0  0  0
    9.0814   -2.6507    0.5392 N   0  0  0  0  0
    9.9023   -3.3706   -0.4881 C   0  0  0  0  0
    9.8282   -2.6803   -1.8717 C   0  0  0  0  0
   10.0726   -1.1787   -1.8206 C   0  0  0  0  0
    9.1617   -0.5156   -0.7968 C   0  0  0  0  0
    9.2268   -1.1616    0.6084 C   0  0  0  0  0
    8.1549   -0.4598    1.4895 C   0  0  0  0  0
   10.5604   -0.7801    1.3051 C   0  0  0  0  0
   11.3829   -3.4614   -0.0307 C   0  0  0  0  0
    9.4992   -4.8589   -0.6937 C   0  0  0  0  0
    4.2851    0.3106    2.6448 C   0  0  0  0  0
    0.2703   -2.5810    2.7505 H   0  0  0  0  0
    0.9124   -4.2257    2.7274 H   0  0  0  0  0
    0.3035   -3.4650    1.2256 H   0  0  0  0  0
    1.9167   -0.9455    2.9855 H   0  0  0  0  0
    1.9182   -5.2773    0.7325 H   0  0  0  0  0
    3.6112   -6.4238   -0.6209 H   0  0  0  0  0
    6.4465   -1.8550   -0.4710 H   0  0  0  0  0
    6.9672   -3.3035   -1.2745 H   0  0  0  0  0
    7.7635   -4.2575    0.9552 H   0  0  0  0  0
    7.3440   -2.8149    1.7321 H   0  0  0  0  0
   10.5566   -3.1317   -2.5584 H   0  0  0  0  0
    8.8450   -2.8524   -2.3257 H   0  0  0  0  0
   11.1226   -0.9670   -1.5959 H   0  0  0  0  0
    9.8819   -0.7466   -2.8102 H   0  0  0  0  0
    9.4191    0.5496   -0.7345 H   0  0  0  0  0
    8.1347   -0.5538   -1.1796 H   0  0  0  0  0
    7.1497   -0.5445    1.0764 H   0  0  0  0  0
    8.3497    0.6174    1.5659 H   0  0  0  0  0
    8.1502   -0.8579    2.5108 H   0  0  0  0  0
   11.4306   -0.8440    0.6535 H   0  0  0  0  0
   10.7369   -1.4030    2.1898 H   0  0  0  0  0
   10.5464    0.2616    1.6500 H   0  0  0  0  0
   11.9500   -2.5449   -0.1920 H   0  0  0  0  0
   11.9294   -4.2284   -0.5950 H   0  0  0  0  0
   11.4559   -3.7359    1.0284 H   0  0  0  0  0
    8.4931   -4.9707   -1.1019 H   0  0  0  0  0
    9.5628   -5.4232    0.2448 H   0  0  0  0  0
   10.1690   -5.3531   -1.4089 H   0  0  0  0  0
    4.0189    0.3949    3.7041 H   0  0  0  0  0
    3.7899    1.1105    2.0865 H   0  0  0  0  0
    5.3675    0.4476    2.5624 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 25  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 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
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 10 11  2  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 24  1  0  0  0
 16 23  1  0  0  0
 17 18  1  0  0  0
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 17 37  1  0  0  0
 18 19  1  0  0  0
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 25 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3228811

>  <PubChem CID>
90668677

>  <Formula>
C21H31N3O

>  <Molecular Weight>
341.499000

>  <IUPAC Name>
5,7-dimethyl-1-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]-1,8-naphthyridin-2-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN3C(CCCC3(C)C)(C)C)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=CC(=O)N2CCN3C(CCCC3(C)C)(C)C)C

>  <InChI Std. ID>
InChI=1S/C21H31N3O/c1-15-14-16(2)22-19-17(15)8-9-18(25)23(19)12-13-24-20(3,4)10-7-11-21(24,5)6/h8-9,14H,7,10-13H2,1-6H3

>  <InChI Key>
RYIIUGUFAKFLGV-UHFFFAOYSA-N

