N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C20H20ClN3O2 — CID 7621143

IUPACN-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCNC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H20ClN3O2/c1-2-3-10-23-19(25)17-12-15-5-4-11-22-18(15)24(20(17)26)13-14-6-8-16(21)9-7-14/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,25)
InChIKeyXLVHPBQXHBSFRY-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.63
Rot. Bonds6

About N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7621143) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7621143
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCNC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H20ClN3O2/c1-2-3-10-23-19(25)17-12-15-5-4-11-22-18(15)24(20(17)26)13-14-6-8-16(21)9-7-14/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,25)
InChIKeyXLVHPBQXHBSFRY-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.63
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
1-[(4-chlorophenyl)methyl]-N-[3-(diethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621175
1-benzyl-2-oxo-N-propyl-1,8-naphthyridine-3-carboxamide
CID 7620085
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
N-(3-ethoxypropyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620423
1-[(2-fluorophenyl)methyl]-N-octyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996215
1-[(4-methylphenyl)methyl]-2-oxo-N-(3-phenylpropyl)-1,8-naphthyridine-3-carboxamide
CID 7620499
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437
1-benzyl-N-[3-(dimethylamino)propyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620123
1-[(4-chlorophenyl)methyl]-N-cycloheptyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621189

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7621143) is N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CCCCNC(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XLVHPBQXHBSFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-2-3-10-23-19(25)17-12-15-5-4-11-22-18(15)24(20(17)26)13-14-6-8-16(21)9-7-14/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,25).
What are the key properties of N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7621143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).