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

C24H20FN3O4 — CID 26844224

IUPACN-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1
InChIInChI=1S/C24H20FN3O4/c1-31-18-9-10-20(21(13-18)32-2)27-23(29)19-12-16-4-3-11-26-22(16)28(24(19)30)14-15-5-7-17(25)8-6-15/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyVJLMBVYRNZHPSS-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.85
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 26844224) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID26844224
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1
InChIInChI=1S/C24H20FN3O4/c1-31-18-9-10-20(21(13-18)32-2)27-23(29)19-12-16-4-3-11-26-22(16)28(24(19)30)14-15-5-7-17(25)8-6-15/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyVJLMBVYRNZHPSS-UHFFFAOYSA-N
XLogP3.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5-[3-(2,4-Difluorophenyl)pyrrolidine-1-carbonyl]-3-(2,6-dimethoxyphenyl)-6-hydroxy-2-(6-methyl-3-pyridinyl)pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 26844224) is N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is VJLMBVYRNZHPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-31-18-9-10-20(21(13-18)32-2)27-23(29)19-12-16-4-3-11-26-22(16)28(24(19)30)14-15-5-7-17(25)8-6-15/h3-13H,14H2,1-2H3,(H,27,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 26844224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).