6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H28N4O4S — CID 175514990

IUPAC6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)cc1
InChIInChI=1S/C25H28N4O4S/c1-16-7-9-18(10-8-16)20-12-11-19(22(27-20)29-15-13-17(2)25(29,3)4)23(30)28-34(32,33)21-6-5-14-26-24(21)31/h5-12,14,17H,13,15H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyWGPFDWRNHZOTKB-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.49
Rot. Bonds5

About 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514990) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514990
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)cc1
InChIInChI=1S/C25H28N4O4S/c1-16-7-9-18(10-8-16)20-12-11-19(22(27-20)29-15-13-17(2)25(29,3)4)23(30)28-34(32,33)21-6-5-14-26-24(21)31/h5-12,14,17H,13,15H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyWGPFDWRNHZOTKB-UHFFFAOYSA-N
XLogP3.49
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514990) is 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is WGPFDWRNHZOTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-16-7-9-18(10-8-16)20-12-11-19(22(27-20)29-15-13-17(2)25(29,3)4)23(30)28-34(32,33)21-6-5-14-26-24(21)31/h5-12,14,17H,13,15H2,1-4H3,(H,26,31)(H,28,30).
What are the key properties of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).