1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

C23H14ClFN4O3 — CID 110172667

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C23H14ClFN4O3/c24-18-9-15(25)4-3-14(18)11-29-12-17(22(31)21-19(29)7-8-20(30)28-21)23(32)27-16-5-1-13(10-26)2-6-16/h1-9,12H,11H2,(H,27,32)(H,28,30)
InChIKeyADCGAKRZISJZSF-UHFFFAOYSA-N
MW448.84 g/mol
LogP3.65
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 110172667) has the molecular formula C23H14ClFN4O3 and a molecular weight of 448.84 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID110172667
Molecular FormulaC23H14ClFN4O3
Molecular Weight448.84 g/mol
Exact Mass448.07
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C23H14ClFN4O3/c24-18-9-15(25)4-3-14(18)11-29-12-17(22(31)21-19(29)7-8-20(30)28-21)23(32)27-16-5-1-13(10-26)2-6-16/h1-9,12H,11H2,(H,27,32)(H,28,30)
InChIKeyADCGAKRZISJZSF-UHFFFAOYSA-N
XLogP3.65
TPSA107.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.84
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 110172661
N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172665
N-(4-aminophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390977
N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57399707
4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]benzoic acid;hydrobromide
CID 110169212
1-[(2-fluorophenyl)methyl]-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172650
1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;N,N-dimethylformamide
CID 110172715
N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57401471
1-[(2-chloro-4-fluorophenyl)methyl]indole-6-carbonitrile
CID 91690038
N-(1-cyanocyclohexyl)-1-[(2,6-dichlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172636
N-(1-cyanocyclohexyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 110172640
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 110172667) is 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3Cl)c3ccc(=O)[nH]c3c2=O)cc1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is ADCGAKRZISJZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4O3/c24-18-9-15(25)4-3-14(18)11-29-12-17(22(31)21-19(29)7-8-20(30)28-21)23(32)27-16-5-1-13(10-26)2-6-16/h1-9,12H,11H2,(H,27,32)(H,28,30).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 448.84 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 110172667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).