N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide

C29H28N2O2 — CID 23040521

IUPACN-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(-c2ccccc2)n(-c2ccc(C)cc2)c(C)cc1=O
InChIInChI=1S/C29H28N2O2/c1-5-22-13-9-10-20(3)27(22)30-29(33)26-25(32)18-21(4)31(24-16-14-19(2)15-17-24)28(26)23-11-7-6-8-12-23/h6-18H,5H2,1-4H3,(H,30,33)
InChIKeyQZVJANUQMDWGGZ-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.24
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide

N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide (PubChem CID 23040521) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
PubChem CID23040521
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(-c2ccccc2)n(-c2ccc(C)cc2)c(C)cc1=O
InChIInChI=1S/C29H28N2O2/c1-5-22-13-9-10-20(3)27(22)30-29(33)26-25(32)18-21(4)31(24-16-14-19(2)15-17-24)28(26)23-11-7-6-8-12-23/h6-18H,5H2,1-4H3,(H,30,33)
InChIKeyQZVJANUQMDWGGZ-UHFFFAOYSA-N
XLogP6.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide (CID 23040521) is N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1c(-c2ccccc2)n(-c2ccc(C)cc2)c(C)cc1=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
The InChIKey is QZVJANUQMDWGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-5-22-13-9-10-20(3)27(22)30-29(33)26-25(32)18-21(4)31(24-16-14-19(2)15-17-24)28(26)23-11-7-6-8-12-23/h6-18H,5H2,1-4H3,(H,30,33).
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-methyl-1-(4-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).