butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

C24H23FN2O4 — CID 7597581

IUPACbutyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-3-14-31-24(30)18-9-11-20(12-10-18)26-22(28)21-8-5-13-27(23(21)29)16-17-6-4-7-19(25)15-17/h4-13,15H,2-3,14,16H2,1H3,(H,26,28)
InChIKeyFENDHFHVGQSVPL-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.24
Rot. Bonds8

About butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 7597581) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID7597581
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Namebutyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-3-14-31-24(30)18-9-11-20(12-10-18)26-22(28)21-8-5-13-27(23(21)29)16-17-6-4-7-19(25)15-17/h4-13,15H,2-3,14,16H2,1H3,(H,26,28)
InChIKeyFENDHFHVGQSVPL-UHFFFAOYSA-N
XLogP4.24
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
butyl 1-[(3-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate
CID 126676042
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
CID 8671148
methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382411
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
1-(4-chlorophenyl)-3-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859552
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-propylurea
CID 30859523
ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7598620

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 7597581) is butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1.
What is the InChIKey of butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is FENDHFHVGQSVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-2-3-14-31-24(30)18-9-11-20(12-10-18)26-22(28)21-8-5-13-27(23(21)29)16-17-6-4-7-19(25)15-17/h4-13,15H,2-3,14,16H2,1H3,(H,26,28).
What are the key properties of butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 422.46 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 7597581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).