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

C₂₆H₃₀N₄O₅S — CID 121251313

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

6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251313) has the molecular formula C₂₆H₃₀N₄O₅S and a molecular weight of 510.62 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121251313
• Molecular Formula: C₂₆H₃₀N₄O₅S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.19
• IUPAC Name: 6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)cc1C
• InChI: InChI=1S/C26H30N4O5S/c1-16-14-26(3,4)30(15-16)23-19(24(31)29-36(33,34)22-7-6-12-27-25(22)32)9-10-20(28-23)18-8-11-21(35-5)17(2)13-18/h6-13,16H,14-15H2,1-5H3,(H,27,32)(H,29,31)/t16-/m0/s1
• InChIKey: IUHOTNQGSVGOLM-INIZCTEOSA-N
• XLogP: 3.50
• TPSA: 121.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251313) is 6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)cc1C.

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

The InChIKey is IUHOTNQGSVGOLM-INIZCTEOSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-16-14-26(3,4)30(15-16)23-19(24(31)29-36(33,34)22-7-6-12-27-25(22)32)9-10-20(28-23)18-8-11-21(35-5)17(2)13-18/h6-13,16H,14-15H2,1-5H3,(H,27,32)(H,29,31)/t16-/m0/s1.

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

6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121251313 — identifiers, structure, computed properties (public domain)

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