6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H29N5O6S — CID 175514679

About 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514679) has the molecular formula C25H29N5O6S and a molecular weight of 527.60 g/mol. Its IUPAC name is 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175514679
• Molecular Formula: C25H29N5O6S
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.18
• IUPAC Name: 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)c(OC)n1
• InChI: InChI=1S/C25H29N5O6S/c1-15-12-14-30(25(15,2)3)21-17(22(31)29-37(33,34)19-7-6-13-26-23(19)32)8-10-18(27-21)16-9-11-20(35-4)28-24(16)36-5/h6-11,13,15H,12,14H2,1-5H3,(H,26,32)(H,29,31)
• InChIKey: KXXGAGGFDPLRGL-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 143.58 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	527.60
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514679) is 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)C3(C)C)n2)c(OC)n1.

What is the InChIKey of 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is KXXGAGGFDPLRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O6S/c1-15-12-14-30(25(15,2)3)21-17(22(31)29-37(33,34)19-7-6-13-26-23(19)32)8-10-18(27-21)16-9-11-20(35-4)28-24(16)36-5/h6-11,13,15H,12,14H2,1-5H3,(H,26,32)(H,29,31).

What are the key properties of 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 527.60 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dimethoxy-3-pyridinyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).