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

C24H28FN3O2 — CID 43996215

IUPAC1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C24H28FN3O2/c1-2-3-4-5-6-9-14-27-23(29)20-16-18-12-10-15-26-22(18)28(24(20)30)17-19-11-7-8-13-21(19)25/h7-8,10-13,15-16H,2-6,9,14,17H2,1H3,(H,27,29)
InChIKeyUXLLTBOMNAKMLA-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.67
Rot. Bonds10

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

1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43996215) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43996215
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O
InChIInChI=1S/C24H28FN3O2/c1-2-3-4-5-6-9-14-27-23(29)20-16-18-12-10-15-26-22(18)28(24(20)30)17-19-11-7-8-13-21(19)25/h7-8,10-13,15-16H,2-6,9,14,17H2,1H3,(H,27,29)
InChIKeyUXLLTBOMNAKMLA-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996348
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621143
1-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620982
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
N-ethyl-1-[(2-fluorophenyl)methyl]-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 43996164
1-[(2-fluorophenyl)methyl]-2-oxo-N,N-di(propan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 7620857
1-[(2-fluorophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621080
1-[(2-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620974
1-[(2-fluorophenyl)methyl]-N-[(1R,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620975
N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621088

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43996215) is 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide is CCCCCCCCNC(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is UXLLTBOMNAKMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-2-3-4-5-6-9-14-27-23(29)20-16-18-12-10-15-26-22(18)28(24(20)30)17-19-11-7-8-13-21(19)25/h7-8,10-13,15-16H,2-6,9,14,17H2,1H3,(H,27,29).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.67, 10 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-octyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43996215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).