1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide

C27H23ClN2O2 — CID 23040717

IUPAC1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccc1
InChIInChI=1S/C27H23ClN2O2/c1-18-10-6-7-13-21(18)26-25(27(32)29-23-15-9-8-14-22(23)28)24(31)16-19(2)30(26)17-20-11-4-3-5-12-20/h3-16H,17H2,1-2H3,(H,29,32)
InChIKeyUNDFQNLXRWGZJV-UHFFFAOYSA-N
MW442.95 g/mol
LogP6.09
Rot. Bonds5

About 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide

1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide (PubChem CID 23040717) has the molecular formula C27H23ClN2O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
PubChem CID23040717
Molecular FormulaC27H23ClN2O2
Molecular Weight442.95 g/mol
Exact Mass442.14
IUPAC Name1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccc1
InChIInChI=1S/C27H23ClN2O2/c1-18-10-6-7-13-21(18)26-25(27(32)29-23-15-9-8-14-22(23)28)24(31)16-19(2)30(26)17-20-11-4-3-5-12-20/h3-16H,17H2,1-2H3,(H,29,32)
InChIKeyUNDFQNLXRWGZJV-UHFFFAOYSA-N
XLogP6.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide (CID 23040717) is 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide is Cc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(=O)cc(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
The InChIKey is UNDFQNLXRWGZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O2/c1-18-10-6-7-13-21(18)26-25(27(32)29-23-15-9-8-14-22(23)28)24(31)16-19(2)30(26)17-20-11-4-3-5-12-20/h3-16H,17H2,1-2H3,(H,29,32).
What are the key properties of 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide?
1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-chlorophenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).