1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide

C21H21F2N3O5 — CID 110169190

IUPAC1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc2c(n1)c(=O)c(C(=O)NCC(OC)OC)cn2Cc1c(F)cccc1F
InChIInChI=1S/C21H21F2N3O5/c1-29-17-8-7-16-19(25-17)20(27)13(21(28)24-9-18(30-2)31-3)11-26(16)10-12-14(22)5-4-6-15(12)23/h4-8,11,18H,9-10H2,1-3H3,(H,24,28)
InChIKeyFZAZOJKUILLARK-UHFFFAOYSA-N
MW433.41 g/mol
LogP2.08
Rot. Bonds8

About 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide

1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 110169190) has the molecular formula C21H21F2N3O5 and a molecular weight of 433.41 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID110169190
Molecular FormulaC21H21F2N3O5
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC Name1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOc1ccc2c(n1)c(=O)c(C(=O)NCC(OC)OC)cn2Cc1c(F)cccc1F
InChIInChI=1S/C21H21F2N3O5/c1-29-17-8-7-16-19(25-17)20(27)13(21(28)24-9-18(30-2)31-3)11-26(16)10-12-14(22)5-4-6-15(12)23/h4-8,11,18H,9-10H2,1-3H3,(H,24,28)
InChIKeyFZAZOJKUILLARK-UHFFFAOYSA-N
XLogP2.08
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]benzoic acid
CID 110169181
ethyl 4-[[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 110169229
1-[1-[(2,6-difluorophenyl)methyl]-6-methoxy-4-oxo-1,5-naphthyridine-3-carbonyl]piperidine-3-carboxamide
CID 110169174
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
1-[(2,6-difluorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide;hydrate
CID 110172677
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
N-[4-(difluoromethoxy)phenyl]-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57401471
N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57399707
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide (CID 110169190) is 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide is COc1ccc2c(n1)c(=O)c(C(=O)NCC(OC)OC)cn2Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is FZAZOJKUILLARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O5/c1-29-17-8-7-16-19(25-17)20(27)13(21(28)24-9-18(30-2)31-3)11-26(16)10-12-14(22)5-4-6-15(12)23/h4-8,11,18H,9-10H2,1-3H3,(H,24,28).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-N-(2,2-dimethoxyethyl)-6-methoxy-4-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 110169190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).