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

C28H35N5O4S — CID 175515428

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

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515428) has the molecular formula C28H35N5O4S and a molecular weight of 537.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515428
• Molecular Formula: C28H35N5O4S
• Molecular Weight: 537.69 g/mol
• Exact Mass: 537.24
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)COc1cccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)c1
• InChI: InChI=1S/C28H35N5O4S/c1-18(2)17-37-22-9-6-8-20(14-22)21-15-23(26(30-16-21)33-13-12-19(3)28(33,4)5)27(34)32-38(35,36)25-11-7-10-24(29)31-25/h6-11,14-16,18-19H,12-13,17H2,1-5H3,(H2,29,31)(H,32,34)
• InChIKey: JEKOPEKBGHWWOA-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.69
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515428) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)COc1cccc(-c2cnc(N3CCC(C)C3(C)C)c(C(=O)NS(=O)(=O)c3cccc(N)n3)c2)c1.

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

The InChIKey is JEKOPEKBGHWWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4S/c1-18(2)17-37-22-9-6-8-20(14-22)21-15-23(26(30-16-21)33-13-12-19(3)28(33,4)5)27(34)32-38(35,36)25-11-7-10-24(29)31-25/h6-11,14-16,18-19H,12-13,17H2,1-5H3,(H2,29,31)(H,32,34).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 537.69 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[3-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).