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

C23H24FN3O2 — CID 7620975

IUPAC1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C23H24FN3O2/c1-15-7-2-5-11-20(15)26-22(28)18-13-16-9-6-12-25-21(16)27(23(18)29)14-17-8-3-4-10-19(17)24/h3-4,6,8-10,12-13,15,20H,2,5,7,11,14H2,1H3,(H,26,28)/t15-,20+/m0/s1
InChIKeyLIOSGBZNDWUZKO-MGPUTAFESA-N
MW393.46 g/mol
LogP3.89
Rot. Bonds4

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

1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620975) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620975
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C23H24FN3O2/c1-15-7-2-5-11-20(15)26-22(28)18-13-16-9-6-12-25-21(16)27(23(18)29)14-17-8-3-4-10-19(17)24/h3-4,6,8-10,12-13,15,20H,2,5,7,11,14H2,1H3,(H,26,28)/t15-,20+/m0/s1
InChIKeyLIOSGBZNDWUZKO-MGPUTAFESA-N
XLogP3.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974
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
N-[(1R,2S)-2-methylcyclohexyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620470
1-methyl-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619418
N,N-dicyclohexyl-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996135
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620857
1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 135782798
1-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621080

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620975) is 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide is C[C@H]1CCCC[C@H]1NC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LIOSGBZNDWUZKO-MGPUTAFESA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-15-7-2-5-11-20(15)26-22(28)18-13-16-9-6-12-25-21(16)27(23(18)29)14-17-8-3-4-10-19(17)24/h3-4,6,8-10,12-13,15,20H,2,5,7,11,14H2,1H3,(H,26,28)/t15-,20+/m0/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).