6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C24H27N5O5S — CID 139459059

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

6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 139459059) has the molecular formula C24H27N5O5S and a molecular weight of 497.58 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 139459059
• Molecular Formula: C24H27N5O5S
• Molecular Weight: 497.58 g/mol
• Exact Mass: 497.17
• IUPAC Name: 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: COc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3ncc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c1
• InChI: InChI=1S/C24H27N5O5S/c1-15-13-24(2,3)29(14-15)20-18(8-9-19(27-20)16-6-5-7-17(12-16)34-4)21(30)28-35(32,33)23-22(31)25-10-11-26-23/h5-12,15H,13-14H2,1-4H3,(H,25,31)(H,28,30)/t15-/m0/s1
• InChIKey: GKEHLHSSBKDKBB-HNNXBMFYSA-N
• XLogP: 2.58
• TPSA: 134.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.58
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 139459059) is 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3ncc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c1.

What is the InChIKey of 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is GKEHLHSSBKDKBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27N5O5S/c1-15-13-24(2,3)29(14-15)20-18(8-9-19(27-20)16-6-5-7-17(12-16)34-4)21(30)28-35(32,33)23-22(31)25-10-11-26-23/h5-12,15H,13-14H2,1-4H3,(H,25,31)(H,28,30)/t15-/m0/s1.

What are the key properties of 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-methoxyphenyl)-N-[(2-oxo-1H-pyrazin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 139459059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).