5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one

C21H20F3N3O — CID 162563411

IUPAC5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one
SMILESCc1cnc2[nH]c(=O)cc(NCc3cccc(C(F)(F)F)c3)c2c1C1CCC1
InChIInChI=1S/C21H20F3N3O/c1-12-10-26-20-19(18(12)14-5-3-6-14)16(9-17(28)27-20)25-11-13-4-2-7-15(8-13)21(22,23)24/h2,4,7-10,14H,3,5-6,11H2,1H3,(H2,25,26,27,28)
InChIKeyQQWGCAFLWCEPJJ-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.13
Rot. Bonds4

About 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one

5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one (PubChem CID 162563411) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one
PubChem CID162563411
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one
SMILESCc1cnc2[nH]c(=O)cc(NCc3cccc(C(F)(F)F)c3)c2c1C1CCC1
InChIInChI=1S/C21H20F3N3O/c1-12-10-26-20-19(18(12)14-5-3-6-14)16(9-17(28)27-20)25-11-13-4-2-7-15(8-13)21(22,23)24/h2,4,7-10,14H,3,5-6,11H2,1H3,(H2,25,26,27,28)
InChIKeyQQWGCAFLWCEPJJ-UHFFFAOYSA-N
XLogP5.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 16674346
2,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]methylamino]phenol
CID 106954168
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
2-chloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 65485316
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136764145
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
4-N,4-N,5-trimethyl-2-N-[4-[[3-(trifluoromethyl)phenyl]methylamino]cyclohexyl]pyrimidine-2,4-diamine
CID 87995759
3-[2-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]-1H-quinoxalin-2-one
CID 4029329
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 61225671
3-ethyl-6-[[3-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidine-2,4-dione
CID 146334414

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one (CID 162563411) is 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one is Cc1cnc2[nH]c(=O)cc(NCc3cccc(C(F)(F)F)c3)c2c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one?
The InChIKey is QQWGCAFLWCEPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-12-10-26-20-19(18(12)14-5-3-6-14)16(9-17(28)27-20)25-11-13-4-2-7-15(8-13)21(22,23)24/h2,4,7-10,14H,3,5-6,11H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one?
5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one has a molecular weight of 387.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-6-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 162563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).