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

C27H32N4O5S — CID 175515333

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

N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515333) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515333
• Molecular Formula: C27H32N4O5S
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.21
• IUPAC Name: N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)cc1
• InChI: InChI=1S/C27H32N4O5S/c1-17(2)36-20-10-8-19(9-11-20)22-13-12-21(24(29-22)31-16-14-18(3)27(31,4)5)25(32)30-37(34,35)23-7-6-15-28-26(23)33/h6-13,15,17-18H,14,16H2,1-5H3,(H,28,33)(H,30,32)
• InChIKey: NEOGNFHZOHZWBJ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 121.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515333) is N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)cc1.

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

The InChIKey is NEOGNFHZOHZWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-17(2)36-20-10-8-19(9-11-20)22-13-12-21(24(29-22)31-16-14-18(3)27(31,4)5)25(32)30-37(34,35)23-7-6-15-28-26(23)33/h6-13,15,17-18H,14,16H2,1-5H3,(H,28,33)(H,30,32).

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

N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 524.64 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(4-propan-2-yloxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).