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

C29H27ClN2O2 — CID 23040194

IUPAC1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2cccc(C)c2C)c(=O)cc(C)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C29H27ClN2O2/c1-18-9-7-11-25(21(18)4)31-29(34)27-26(33)16-20(3)32(17-22-12-14-23(30)15-13-22)28(27)24-10-6-5-8-19(24)2/h5-16H,17H2,1-4H3,(H,31,34)
InChIKeyUFYDXXOZDKZDJP-UHFFFAOYSA-N
MW471.00 g/mol
LogP6.70
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide (PubChem CID 23040194) has the molecular formula C29H27ClN2O2 and a molecular weight of 471.00 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
PubChem CID23040194
Molecular FormulaC29H27ClN2O2
Molecular Weight471.00 g/mol
Exact Mass470.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2cccc(C)c2C)c(=O)cc(C)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C29H27ClN2O2/c1-18-9-7-11-25(21(18)4)31-29(34)27-26(33)16-20(3)32(17-22-12-14-23(30)15-13-22)28(27)24-10-6-5-8-19(24)2/h5-16H,17H2,1-4H3,(H,31,34)
InChIKeyUFYDXXOZDKZDJP-UHFFFAOYSA-N
XLogP6.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040717
2-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-4-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040706
6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide
CID 23040090
1-[(4-chlorophenyl)methyl]-6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-ylpyridine-3-carboxamide
CID 23040883
N-(2,3-dimethylphenyl)-2-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-4-oxopyridine-3-carboxamide
CID 23040750
N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 23040445
1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
CID 14252502
N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 23040772
N-(2-chlorophenyl)-1-hexyl-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040741
1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide
CID 14277848
N-(2-chlorophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-2-phenylpyridine-3-carboxamide
CID 139649230
N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
CID 23040529

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide (CID 23040194) is 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide is Cc1ccccc1-c1c(C(=O)Nc2cccc(C)c2C)c(=O)cc(C)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is UFYDXXOZDKZDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O2/c1-18-9-7-11-25(21(18)4)31-29(34)27-26(33)16-20(3)32(17-22-12-14-23(30)15-13-22)28(27)24-10-6-5-8-19(24)2/h5-16H,17H2,1-4H3,(H,31,34).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 471.00 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).