N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C21H17FN2O3 — CID 8671146

IUPACN-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H17FN2O3/c1-14(25)16-4-9-19(10-5-16)23-21(27)17-6-11-20(26)24(13-17)12-15-2-7-18(22)8-3-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyXPMHCEUXVWLSPQ-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.49
Rot. Bonds5

About N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8671146) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8671146
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC NameN-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C21H17FN2O3/c1-14(25)16-4-9-19(10-5-16)23-21(27)17-6-11-20(26)24(13-17)12-15-2-7-18(22)8-3-15/h2-11,13H,12H2,1H3,(H,23,27)
InChIKeyXPMHCEUXVWLSPQ-UHFFFAOYSA-N
XLogP3.49
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
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-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
CID 8671148
N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582644
2-[5-[(4-fluorophenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 110082545
N-(4-carbamoylphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383049
N-(4-fluorophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697248
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
1-benzyl-N'-(4-fluorobenzoyl)-6-oxopyridine-3-carbohydrazide
CID 27370694

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8671146) is N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is XPMHCEUXVWLSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-14(25)16-4-9-19(10-5-16)23-21(27)17-6-11-20(26)24(13-17)12-15-2-7-18(22)8-3-15/h2-11,13H,12H2,1H3,(H,23,27).
What are the key properties of N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8671146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).