N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate

C24H20ClN3O5 — CID 110172665

IUPACN-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
SMILESCC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1.O
InChIInChI=1S/C24H18ClN3O4.H2O/c1-14(29)15-6-8-17(9-7-15)26-24(32)18-13-28(12-16-4-2-3-5-19(16)25)20-10-11-21(30)27-22(20)23(18)31;/h2-11,13H,12H2,1H3,(H,26,32)(H,27,30);1H2
InChIKeyMGBWTVXVHWYMPV-UHFFFAOYSA-N
MW465.89 g/mol
LogP3.02
Rot. Bonds5

About N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate

N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate (PubChem CID 110172665) has the molecular formula C24H20ClN3O5 and a molecular weight of 465.89 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
PubChem CID110172665
Molecular FormulaC24H20ClN3O5
Molecular Weight465.89 g/mol
Exact Mass465.11
IUPAC NameN-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
SMILESCC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1.O
InChIInChI=1S/C24H18ClN3O4.H2O/c1-14(29)15-6-8-17(9-7-15)26-24(32)18-13-28(12-16-4-2-3-5-19(16)25)20-10-11-21(30)27-22(20)23(18)31;/h2-11,13H,12H2,1H3,(H,26,32)(H,27,30);1H2
InChIKeyMGBWTVXVHWYMPV-UHFFFAOYSA-N
XLogP3.02
TPSA132.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.89
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57399707
N-(4-carbamoylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;dihydrate
CID 110172721
1-[(2-chloro-4-fluorophenyl)methyl]-N-(4-cyanophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 110172667
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-chloro-4-fluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 110172661
N-(4-aminophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390977
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]-5H-1,5-naphthyridine-3-carboxamide
CID 57394491
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-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831914
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
N-(1-cyanocyclohexyl)-1-[(2,6-dichlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172636

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate?
The IUPAC name of N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate (CID 110172665) is N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate.
What is the SMILES notation for N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate?
The canonical SMILES for N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate is CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1.O.
What is the InChIKey of N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate?
The InChIKey is MGBWTVXVHWYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O4.H2O/c1-14(29)15-6-8-17(9-7-15)26-24(32)18-13-28(12-16-4-2-3-5-19(16)25)20-10-11-21(30)27-22(20)23(18)31;/h2-11,13H,12H2,1H3,(H,26,32)(H,27,30);1H2.
What are the key properties of N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate?
N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate has a molecular weight of 465.89 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-[(2-chlorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate is sourced from PubChem (CID 110172665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).