1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide

C21H18Cl2N2O2 — CID 8698359

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H18Cl2N2O2/c1-13-4-3-5-14(2)20(13)24-21(27)16-7-9-19(26)25(12-16)11-15-6-8-17(22)18(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyYEZPFUJNFYJYNL-UHFFFAOYSA-N
MW401.29 g/mol
LogP5.07
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 8698359) has the molecular formula C21H18Cl2N2O2 and a molecular weight of 401.29 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID8698359
Molecular FormulaC21H18Cl2N2O2
Molecular Weight401.29 g/mol
Exact Mass400.07
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C21H18Cl2N2O2/c1-13-4-3-5-14(2)20(13)24-21(27)16-7-9-19(26)25(12-16)11-15-6-8-17(22)18(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyYEZPFUJNFYJYNL-UHFFFAOYSA-N
XLogP5.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671359
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
N-(2,6-dimethylphenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697298
1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698366
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)-6-oxopyridine-3-carboxamide
CID 26844080
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
1-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 110382997
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1482997

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide (CID 8698359) is 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide is Cc1cccc(C)c1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is YEZPFUJNFYJYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2/c1-13-4-3-5-14(2)20(13)24-21(27)16-7-9-19(26)25(12-16)11-15-6-8-17(22)18(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 401.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-(2,6-dimethylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8698359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).