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

C25H29N5O4S — CID 175515025

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515025) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515025
• Molecular Formula: C25H29N5O4S
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.19
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)cc1
• InChI: InChI=1S/C25H29N5O4S/c1-16-13-15-30(25(16,2)3)23-19(11-12-20(28-23)17-7-9-18(34-4)10-8-17)24(31)29-35(32,33)21-6-5-14-27-22(21)26/h5-12,14,16H,13,15H2,1-4H3,(H2,26,27)(H,29,31)
• InChIKey: ZYUWXAYPRGVGQC-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 127.51 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	495.61
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515025) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)cc1.

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

The InChIKey is ZYUWXAYPRGVGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-16-13-15-30(25(16,2)3)23-19(11-12-20(28-23)17-7-9-18(34-4)10-8-17)24(31)29-35(32,33)21-6-5-14-27-22(21)26/h5-12,14,16H,13,15H2,1-4H3,(H2,26,27)(H,29,31).

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxyphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).