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

C25H27FN4O4S — CID 175515442

IUPAC6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)ccc1F
InChIInChI=1S/C25H27FN4O4S/c1-15-14-17(7-9-19(15)26)20-10-8-18(22(28-20)30-13-11-16(2)25(30,3)4)23(31)29-35(33,34)21-6-5-12-27-24(21)32/h5-10,12,14,16H,11,13H2,1-4H3,(H,27,32)(H,29,31)
InChIKeyXOOGIHOGTMAWRH-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.63
Rot. Bonds5

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

6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515442) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515442
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC Name6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)ccc1F
InChIInChI=1S/C25H27FN4O4S/c1-15-14-17(7-9-19(15)26)20-10-8-18(22(28-20)30-13-11-16(2)25(30,3)4)23(31)29-35(33,34)21-6-5-12-27-24(21)32/h5-10,12,14,16H,11,13H2,1-4H3,(H,27,32)(H,29,31)
InChIKeyXOOGIHOGTMAWRH-UHFFFAOYSA-N
XLogP3.63
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluoro-3-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-fluoro-3-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-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515442) is 6-(4-fluoro-3-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-fluoro-3-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-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is XOOGIHOGTMAWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-15-14-17(7-9-19(15)26)20-10-8-18(22(28-20)30-13-11-16(2)25(30,3)4)23(31)29-35(33,34)21-6-5-12-27-24(21)32/h5-10,12,14,16H,11,13H2,1-4H3,(H,27,32)(H,29,31).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).