4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid

C24H17F2N3O5 — CID 110169181

IUPAC4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
SMILESCOc1ccc2c(n1)c(=O)c(C(=O)Nc1ccc(C(=O)O)cc1)cn2Cc1c(F)cccc1F
InChIInChI=1S/C24H17F2N3O5/c1-34-20-10-9-19-21(28-20)22(30)16(12-29(19)11-15-17(25)3-2-4-18(15)26)23(31)27-14-7-5-13(6-8-14)24(32)33/h2-10,12H,11H2,1H3,(H,27,31)(H,32,33)
InChIKeyLNMGGVDQRBIPSB-UHFFFAOYSA-N
MW465.41 g/mol
LogP3.68
Rot. Bonds6

About 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid

4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid (PubChem CID 110169181) has the molecular formula C24H17F2N3O5 and a molecular weight of 465.41 g/mol. Its IUPAC name is 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
PubChem CID110169181
Molecular FormulaC24H17F2N3O5
Molecular Weight465.41 g/mol
Exact Mass465.11
IUPAC Name4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
SMILESCOc1ccc2c(n1)c(=O)c(C(=O)Nc1ccc(C(=O)O)cc1)cn2Cc1c(F)cccc1F
InChIInChI=1S/C24H17F2N3O5/c1-34-20-10-9-19-21(28-20)22(30)16(12-29(19)11-15-17(25)3-2-4-18(15)26)23(31)27-14-7-5-13(6-8-14)24(32)33/h2-10,12H,11H2,1H3,(H,27,31)(H,32,33)
InChIKeyLNMGGVDQRBIPSB-UHFFFAOYSA-N
XLogP3.68
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide
CID 110169190
4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]benzoic acid;hydrobromide
CID 110169212
ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 110169229
N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57399707
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
N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57401471
1-ethyl-7-methoxy-4-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 162624409
N-(4-carbamoylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;dihydrate
CID 110172721
1-[(2-fluorophenyl)methyl]-4,6-dioxo-N-(3,4,5-trimethoxyphenyl)-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172650
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
1-[(2,6-difluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172677

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid (CID 110169181) is 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid is COc1ccc2c(n1)c(=O)c(C(=O)Nc1ccc(C(=O)O)cc1)cn2Cc1c(F)cccc1F.
What is the InChIKey of 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid?
The InChIKey is LNMGGVDQRBIPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O5/c1-34-20-10-9-19-21(28-20)22(30)16(12-29(19)11-15-17(25)3-2-4-18(15)26)23(31)27-14-7-5-13(6-8-14)24(32)33/h2-10,12H,11H2,1H3,(H,27,31)(H,32,33).
What are the key properties of 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid?
4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid has a molecular weight of 465.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid is sourced from PubChem (CID 110169181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).