N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide

C21H16Cl2N2O3 — CID 7599305

IUPACN-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)c1
InChIInChI=1S/C21H16Cl2N2O3/c1-13(26)14-4-2-5-17(10-14)24-20(27)18-6-3-9-25(21(18)28)12-15-7-8-16(22)11-19(15)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyZJANPCOFTBCJJE-UHFFFAOYSA-N
MW415.28 g/mol
LogP4.66
Rot. Bonds5

About N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599305) has the molecular formula C21H16Cl2N2O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599305
Molecular FormulaC21H16Cl2N2O3
Molecular Weight415.28 g/mol
Exact Mass414.05
IUPAC NameN-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)c1
InChIInChI=1S/C21H16Cl2N2O3/c1-13(26)14-4-2-5-17(10-14)24-20(27)18-6-3-9-25(21(18)28)12-15-7-8-16(22)11-19(15)23/h2-11H,12H2,1H3,(H,24,27)
InChIKeyZJANPCOFTBCJJE-UHFFFAOYSA-N
XLogP4.66
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 3774896
N-(4-acetylphenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599073
1-[(2,4-dichlorophenyl)methyl]-N-(2,5-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7599310
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599167
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922
1-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598870
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598067
3-acetamido-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 17397210

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599305) is N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cccn(Cc3ccc(Cl)cc3Cl)c2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZJANPCOFTBCJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O3/c1-13(26)14-4-2-5-17(10-14)24-20(27)18-6-3-9-25(21(18)28)12-15-7-8-16(22)11-19(15)23/h2-11H,12H2,1H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 415.28 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-[(2,4-dichlorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).