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

C28H26N2O2 — CID 23040090

IUPAC6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3)c2-c2ccccc2C)cc1
InChIInChI=1S/C28H26N2O2/c1-19-13-15-22(16-14-19)18-30-21(3)17-25(31)26(27(30)24-12-8-7-9-20(24)2)28(32)29-23-10-5-4-6-11-23/h4-17H,18H2,1-3H3,(H,29,32)
InChIKeyOHKMLAOTUQWGKK-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.74
Rot. Bonds5

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

6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 23040090) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide
PubChem CID23040090
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3)c2-c2ccccc2C)cc1
InChIInChI=1S/C28H26N2O2/c1-19-13-15-22(16-14-19)18-30-21(3)17-25(31)26(27(30)24-12-8-7-9-20(24)2)28(32)29-23-10-5-4-6-11-23/h4-17H,18H2,1-3H3,(H,29,32)
InChIKeyOHKMLAOTUQWGKK-UHFFFAOYSA-N
XLogP5.74
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide (CID 23040090) is 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide is Cc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3)c2-c2ccccc2C)cc1.
What is the InChIKey of 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is OHKMLAOTUQWGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-19-13-15-22(16-14-19)18-30-21(3)17-25(31)26(27(30)24-12-8-7-9-20(24)2)28(32)29-23-10-5-4-6-11-23/h4-17H,18H2,1-3H3,(H,29,32).
What are the key properties of 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide?
6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylphenyl)-1-[(4-methylphenyl)methyl]-4-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).