4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C27H38N4O4S — CID 153427314

About 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427314) has the molecular formula C27H38N4O4S and a molecular weight of 514.69 g/mol. Its IUPAC name is 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 153427314
• Molecular Formula: C27H38N4O4S
• Molecular Weight: 514.69 g/mol
• Exact Mass: 514.26
• IUPAC Name: 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2nccc(S(=O)(=O)c3cccc(OC4CCC(C(C)C)CC4)n3)c2C(N)=O)C(C)(C)C1
• InChI: InChI=1S/C27H38N4O4S/c1-17(2)19-9-11-20(12-10-19)35-22-7-6-8-23(30-22)36(33,34)21-13-14-29-26(24(21)25(28)32)31-16-18(3)15-27(31,4)5/h6-8,13-14,17-20H,9-12,15-16H2,1-5H3,(H2,28,32)
• InChIKey: XHODXPCBQURLSY-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 115.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.69
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427314) is 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(OC4CCC(C(C)C)CC4)n3)c2C(N)=O)C(C)(C)C1.

What is the InChIKey of 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is XHODXPCBQURLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4S/c1-17(2)19-9-11-20(12-10-19)35-22-7-6-8-23(30-22)36(33,34)21-13-14-29-26(24(21)25(28)32)31-16-18(3)15-27(31,4)5/h6-8,13-14,17-20H,9-12,15-16H2,1-5H3,(H2,28,32).

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

4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 514.69 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).