6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide

C26H23N3O2 — CID 23040715

IUPAC6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C26H23N3O2/c1-18-8-10-20(11-9-18)17-29-19(2)16-23(30)24(25(29)21-12-14-27-15-13-21)26(31)28-22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,28,31)
InChIKeyVVIYIXQXOJAJTB-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.83
Rot. Bonds5

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

6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 23040715) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide
PubChem CID23040715
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3)c2-c2ccncc2)cc1
InChIInChI=1S/C26H23N3O2/c1-18-8-10-20(11-9-18)17-29-19(2)16-23(30)24(25(29)21-12-14-27-15-13-21)26(31)28-22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,28,31)
InChIKeyVVIYIXQXOJAJTB-UHFFFAOYSA-N
XLogP4.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide (CID 23040715) is 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide is Cc1ccc(Cn2c(C)cc(=O)c(C(=O)Nc3ccccc3)c2-c2ccncc2)cc1.
What is the InChIKey of 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is VVIYIXQXOJAJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18-8-10-20(11-9-18)17-29-19(2)16-23(30)24(25(29)21-12-14-27-15-13-21)26(31)28-22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,28,31).
What are the key properties of 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide?
6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[(4-methylphenyl)methyl]-4-oxo-N-phenyl-2-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 23040715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).