5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide

C25H22N2O5 — CID 162715922

IUPAC5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(C)=O)c(=O)n(-c3ccc(C(C)=O)cc3)c2C)cc1
InChIInChI=1S/C25H22N2O5/c1-14-22(24(31)26-20-9-5-18(6-10-20)15(2)28)13-23(17(4)30)25(32)27(14)21-11-7-19(8-12-21)16(3)29/h5-13H,1-4H3,(H,26,31)
InChIKeyNMGXJDJMGIPNHT-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.01
Rot. Bonds6

About 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide

5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide (PubChem CID 162715922) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
PubChem CID162715922
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(C)=O)c(=O)n(-c3ccc(C(C)=O)cc3)c2C)cc1
InChIInChI=1S/C25H22N2O5/c1-14-22(24(31)26-20-9-5-18(6-10-20)15(2)28)13-23(17(4)30)25(32)27(14)21-11-7-19(8-12-21)16(3)29/h5-13H,1-4H3,(H,26,31)
InChIKeyNMGXJDJMGIPNHT-UHFFFAOYSA-N
XLogP4.01
TPSA102.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide (CID 162715922) is 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(C(C)=O)c(=O)n(-c3ccc(C(C)=O)cc3)c2C)cc1.
What is the InChIKey of 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is NMGXJDJMGIPNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-14-22(24(31)26-20-9-5-18(6-10-20)15(2)28)13-23(17(4)30)25(32)27(14)21-11-7-19(8-12-21)16(3)29/h5-13H,1-4H3,(H,26,31).
What are the key properties of 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide?
5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N,1-bis(4-acetylphenyl)-2-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 162715922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).