N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide

C21H19ClN2O2 — CID 8671462

IUPACN-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cc(C(=O)Nc3cccc(Cl)c3)ccc2=O)c1
InChIInChI=1S/C21H19ClN2O2/c1-14-6-7-15(2)17(10-14)13-24-12-16(8-9-20(24)25)21(26)23-19-5-3-4-18(22)11-19/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyVMTKCICUXQWKJD-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.42
Rot. Bonds4

About N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide

N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8671462) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8671462
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cc(C(=O)Nc3cccc(Cl)c3)ccc2=O)c1
InChIInChI=1S/C21H19ClN2O2/c1-14-6-7-15(2)17(10-14)13-24-12-16(8-9-20(24)25)21(26)23-19-5-3-4-18(22)11-19/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyVMTKCICUXQWKJD-UHFFFAOYSA-N
XLogP4.42
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671496
N-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
1-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671473
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671499
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078
1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671512
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8697710
N-(3-chlorophenyl)-6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26844128
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698220
1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 8671200
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8671462) is N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1ccc(C)c(Cn2cc(C(=O)Nc3cccc(Cl)c3)ccc2=O)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is VMTKCICUXQWKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-14-6-7-15(2)17(10-14)13-24-12-16(8-9-20(24)25)21(26)23-19-5-3-4-18(22)11-19/h3-12H,13H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8671462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).