butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate

C24H23FN2O4 — CID 8671148

IUPACbutyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-3-14-31-24(30)18-6-11-21(12-7-18)26-23(29)19-8-13-22(28)27(16-19)15-17-4-9-20(25)10-5-17/h4-13,16H,2-3,14-15H2,1H3,(H,26,29)
InChIKeyFHSYNRVKXWARJP-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.24
Rot. Bonds8

About butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate

butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 8671148) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID8671148
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Namebutyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H23FN2O4/c1-2-3-14-31-24(30)18-6-11-21(12-7-18)26-23(29)19-8-13-22(28)27(16-19)15-17-4-9-20(25)10-5-17/h4-13,16H,2-3,14-15H2,1H3,(H,26,29)
InChIKeyFHSYNRVKXWARJP-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

N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
N-(4-carbamoylphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383049
butyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 11624073
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597581
butyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoate
CID 7228837
1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 5122579
N-(4-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697248
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate (CID 8671148) is butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is FHSYNRVKXWARJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-2-3-14-31-24(30)18-6-11-21(12-7-18)26-23(29)19-8-13-22(28)27(16-19)15-17-4-9-20(25)10-5-17/h4-13,16H,2-3,14-15H2,1H3,(H,26,29).
What are the key properties of butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate?
butyl 4-[[1-[(4-fluorophenyl)methyl]-6-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-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 8671148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).