N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C24H27N3O2 — CID 7620470

IUPACN-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc3cccnc32)cc1
InChIInChI=1S/C24H27N3O2/c1-16-9-11-18(12-10-16)15-27-22-19(7-5-13-25-22)14-20(24(27)29)23(28)26-21-8-4-3-6-17(21)2/h5,7,9-14,17,21H,3-4,6,8,15H2,1-2H3,(H,26,28)/t17-,21+/m0/s1
InChIKeyOEBQUPQLIWQRNY-LAUBAEHRSA-N
MW389.50 g/mol
LogP4.06
Rot. Bonds4

About N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620470) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620470
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc3cccnc32)cc1
InChIInChI=1S/C24H27N3O2/c1-16-9-11-18(12-10-16)15-27-22-19(7-5-13-25-22)14-20(24(27)29)23(28)26-21-8-4-3-6-17(21)2/h5,7,9-14,17,21H,3-4,6,8,15H2,1-2H3,(H,26,28)/t17-,21+/m0/s1
InChIKeyOEBQUPQLIWQRNY-LAUBAEHRSA-N
XLogP4.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620734
1-ethyl-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619800
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975
1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418
1-[(4-chlorophenyl)methyl]-N-cycloheptyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621189
1-[(4-methylphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,8-naphthyridine-3-carboxamide
CID 43995954
N-cyclohexyl-N-ethyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620356
3-(azepane-1-carbonyl)-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620362
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373
N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620565
N-(2-ethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620518

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620470) is N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1ccc(Cn2c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc3cccnc32)cc1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OEBQUPQLIWQRNY-LAUBAEHRSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-9-11-18(12-10-16)15-27-22-19(7-5-13-25-22)14-20(24(27)29)23(28)26-21-8-4-3-6-17(21)2/h5,7,9-14,17,21H,3-4,6,8,15H2,1-2H3,(H,26,28)/t17-,21+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).