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

C26H30FN5O4S — CID 175515201

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515201) has the molecular formula C26H30FN5O4S and a molecular weight of 527.62 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515201
• Molecular Formula: C26H30FN5O4S
• Molecular Weight: 527.62 g/mol
• Exact Mass: 527.20
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)ccc1F
• InChI: InChI=1S/C26H30FN5O4S/c1-5-36-21-15-17(8-10-19(21)27)20-11-9-18(24(30-20)32-14-12-16(2)26(32,3)4)25(33)31-37(34,35)22-7-6-13-29-23(22)28/h6-11,13,15-16H,5,12,14H2,1-4H3,(H2,28,29)(H,31,33)
• InChIKey: HQCRIQCLYVSMEL-UHFFFAOYSA-N
• XLogP: 4.01
• 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	527.62
LogP ≤ 5	4.01
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-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515201) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-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-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CCC(C)C3(C)C)n2)ccc1F.

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

The InChIKey is HQCRIQCLYVSMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O4S/c1-5-36-21-15-17(8-10-19(21)27)20-11-9-18(24(30-20)32-14-12-16(2)26(32,3)4)25(33)31-37(34,35)22-7-6-13-29-23(22)28/h6-11,13,15-16H,5,12,14H2,1-4H3,(H2,28,29)(H,31,33).

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-ethoxy-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 527.62 g/mol, XLogP of 4.01, 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-4-fluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).