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

C27H33N5O4S — CID 175515156

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515156) has the molecular formula C27H33N5O4S and a molecular weight of 523.66 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515156
• Molecular Formula: C27H33N5O4S
• Molecular Weight: 523.66 g/mol
• Exact Mass: 523.23
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)c1
• InChI: InChI=1S/C27H33N5O4S/c1-6-36-20-15-17(2)14-19(16-20)22-10-9-21(25(30-22)32-13-11-18(3)27(32,4)5)26(33)31-37(34,35)23-8-7-12-29-24(23)28/h7-10,12,14-16,18H,6,11,13H2,1-5H3,(H2,28,29)(H,31,33)
• InChIKey: DCBRZKPTUFJROE-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.66
LogP ≤ 5	4.18
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-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515156) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)c1.

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

The InChIKey is DCBRZKPTUFJROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4S/c1-6-36-20-15-17(2)14-19(16-20)22-10-9-21(25(30-22)32-13-11-18(3)27(32,4)5)26(33)31-37(34,35)23-8-7-12-29-24(23)28/h7-10,12,14-16,18H,6,11,13H2,1-5H3,(H2,28,29)(H,31,33).

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 523.66 g/mol, XLogP of 4.18, 7 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-(3-ethoxy-5-methylphenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).