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

C28H26N2O2 — CID 23040476

IUPACN-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2c(C)cccc2C)c(=O)cc(C)n1-c1ccccc1
InChIInChI=1S/C28H26N2O2/c1-18-11-8-9-16-23(18)27-25(28(32)29-26-19(2)12-10-13-20(26)3)24(31)17-21(4)30(27)22-14-6-5-7-15-22/h5-17H,1-4H3,(H,29,32)
InChIKeyAPPVUJSJVYIFIL-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.99
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 23040476) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
PubChem CID23040476
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC NameN-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide
SMILESCc1ccccc1-c1c(C(=O)Nc2c(C)cccc2C)c(=O)cc(C)n1-c1ccccc1
InChIInChI=1S/C28H26N2O2/c1-18-11-8-9-16-23(18)27-25(28(32)29-26-19(2)12-10-13-20(26)3)24(31)17-21(4)30(27)22-14-6-5-7-15-22/h5-17H,1-4H3,(H,29,32)
InChIKeyAPPVUJSJVYIFIL-UHFFFAOYSA-N
XLogP5.99
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide (CID 23040476) is N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide is Cc1ccccc1-c1c(C(=O)Nc2c(C)cccc2C)c(=O)cc(C)n1-c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is APPVUJSJVYIFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-18-11-8-9-16-23(18)27-25(28(32)29-26-19(2)12-10-13-20(26)3)24(31)17-21(4)30(27)22-14-6-5-7-15-22/h5-17H,1-4H3,(H,29,32).
What are the key properties of N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide?
N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).