N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide

C21H18ClN3O3 — CID 7599167

IUPACN-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C21H18ClN3O3/c1-14(26)23-17-7-9-18(10-8-17)24-20(27)19-6-3-11-25(21(19)28)13-15-4-2-5-16(22)12-15/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyAWYFUESNBLUQOC-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.76
Rot. Bonds5

About N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599167) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599167
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1
InChIInChI=1S/C21H18ClN3O3/c1-14(26)23-17-7-9-18(10-8-17)24-20(27)19-6-3-11-25(21(19)28)13-15-4-2-5-16(22)12-15/h2-12H,13H2,1H3,(H,23,26)(H,24,27)
InChIKeyAWYFUESNBLUQOC-UHFFFAOYSA-N
XLogP3.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
1-(4-chlorophenyl)-3-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]urea
CID 30859509
1-[(3-chlorophenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599112
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598067

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599167) is N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3cccc(Cl)c3)c2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is AWYFUESNBLUQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-14(26)23-17-7-9-18(10-8-17)24-20(27)19-6-3-11-25(21(19)28)13-15-4-2-5-16(22)12-15/h2-12H,13H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).