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

C22H17FN4O2 — CID 7620827

IUPAC1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H17FN4O2/c1-14-4-2-10-24-19(14)26-21(28)18-12-16-5-3-11-25-20(16)27(22(18)29)13-15-6-8-17(23)9-7-15/h2-12H,13H2,1H3,(H,24,26,28)
InChIKeyHDCJFMVYLNJIEE-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.54
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620827) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620827
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C22H17FN4O2/c1-14-4-2-10-24-19(14)26-21(28)18-12-16-5-3-11-25-20(16)27(22(18)29)13-15-6-8-17(23)9-7-15/h2-12H,13H2,1H3,(H,24,26,28)
InChIKeyHDCJFMVYLNJIEE-UHFFFAOYSA-N
XLogP3.54
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620678
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620801
1-[(4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620743
N-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620786
1-[(4-fluorophenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]-1,8-naphthyridine-3-carboxamide
CID 26844218
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620565
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 26844227
1-benzyl-N-(2-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620230
1-[(4-fluorophenyl)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620734
1-[(4-chlorophenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1,8-naphthyridine-3-carboxamide
CID 7621241
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620583

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620827) is 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1cccnc1NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is HDCJFMVYLNJIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-14-4-2-10-24-19(14)26-21(28)18-12-16-5-3-11-25-20(16)27(22(18)29)13-15-6-8-17(23)9-7-15/h2-12H,13H2,1H3,(H,24,26,28).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).