N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C₂₇H₃₂N₄O₄S — CID 153427542

About N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427542) has the molecular formula C₂₇H₃₂N₄O₄S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 153427542
• Molecular Formula: C₂₇H₃₂N₄O₄S
• Molecular Weight: 508.64 g/mol
• Exact Mass: 508.21
• IUPAC Name: N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: Cc1ccc(CCOc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)cc1
• InChI: InChI=1S/C27H32N4O4S/c1-19-10-12-21(13-11-19)14-16-35-23-8-5-9-24(29-23)36(33,34)30-26(32)22-7-6-15-28-25(22)31-18-20(2)17-27(31,3)4/h5-13,15,20H,14,16-18H2,1-4H3,(H,30,32)
• InChIKey: ZIVAKKMXKQJZMK-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.64
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427542) is N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1ccc(CCOc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)cc1.

What is the InChIKey of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is ZIVAKKMXKQJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-19-10-12-21(13-11-19)14-16-35-23-8-5-9-24(29-23)36(33,34)30-26(32)22-7-6-15-28-25(22)31-18-20(2)17-27(31,3)4/h5-13,15,20H,14,16-18H2,1-4H3,(H,30,32).

What are the key properties of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 508.64 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153427542 — identifiers, structure, computed properties (public domain)

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