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

C26H32N6O4S — CID 121251213

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251213) has the molecular formula C26H32N6O4S and a molecular weight of 524.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121251213
• Molecular Formula: C26H32N6O4S
• Molecular Weight: 524.65 g/mol
• Exact Mass: 524.22
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1
• InChI: InChI=1S/C26H32N6O4S/c1-6-36-22-13-18(12-17(3)28-22)20-11-10-19(24(29-20)32-15-16(2)14-26(32,4)5)25(33)31-37(34,35)23-9-7-8-21(27)30-23/h7-13,16H,6,14-15H2,1-5H3,(H2,27,30)(H,31,33)/t16-/m0/s1
• InChIKey: KSKQVMFSBICNSC-INIZCTEOSA-N
• XLogP: 3.57
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.65
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251213) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CCOc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C)n1.

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

The InChIKey is KSKQVMFSBICNSC-INIZCTEOSA-N. The full InChI is InChI=1S/C26H32N6O4S/c1-6-36-22-13-18(12-17(3)28-22)20-11-10-19(24(29-20)32-15-16(2)14-26(32,4)5)25(33)31-37(34,35)23-9-7-8-21(27)30-23/h7-13,16H,6,14-15H2,1-5H3,(H2,27,30)(H,31,33)/t16-/m0/s1.

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-ethoxy-6-methyl-4-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).