N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H29N5O4S — CID 137054065

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 137054065) 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-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 137054065
• Molecular Formula: C25H29N5O4S
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.19
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(O)c(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c1
• InChI: InChI=1S/C25H29N5O4S/c1-15-7-10-20(31)18(12-15)19-9-8-17(23(28-19)30-14-16(2)13-25(30,3)4)24(32)29-35(33,34)21-6-5-11-27-22(21)26/h5-12,16,31H,13-14H2,1-4H3,(H2,26,27)(H,29,32)/t16-/m0/s1
• InChIKey: TWVNSCBDJMEUOO-INIZCTEOSA-N
• XLogP: 3.48
• TPSA: 138.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• 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	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 137054065) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1ccc(O)c(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c1.

What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is TWVNSCBDJMEUOO-INIZCTEOSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-15-7-10-20(31)18(12-15)19-9-8-17(23(28-19)30-14-16(2)13-25(30,3)4)24(32)29-35(33,34)21-6-5-11-27-22(21)26/h5-12,16,31H,13-14H2,1-4H3,(H2,26,27)(H,29,32)/t16-/m0/s1.

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-hydroxy-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 137054065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).