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

C₂₆H₂₉F₂N₅O₄S — CID 175514761

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514761) has the molecular formula C₂₆H₂₉F₂N₅O₄S and a molecular weight of 545.61 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175514761
• Molecular Formula: C₂₆H₂₉F₂N₅O₄S
• Molecular Weight: 545.61 g/mol
• Exact Mass: 545.19
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)ccc1OC(F)F
• InChI: InChI=1S/C26H29F2N5O4S/c1-15-14-17(8-11-20(15)37-25(27)28)19-10-9-18(23(30-19)33-13-12-16(2)26(33,3)4)24(34)32-38(35,36)22-7-5-6-21(29)31-22/h5-11,14,16,25H,12-13H2,1-4H3,(H2,29,31)(H,32,34)
• InChIKey: XTDICFNAAIBELC-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.61
LogP ≤ 5	4.38
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]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514761) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(C)C3(C)C)n2)ccc1OC(F)F.

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

The InChIKey is XTDICFNAAIBELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N5O4S/c1-15-14-17(8-11-20(15)37-25(27)28)19-10-9-18(23(30-19)33-13-12-16(2)26(33,3)4)24(34)32-38(35,36)22-7-5-6-21(29)31-22/h5-11,14,16,25H,12-13H2,1-4H3,(H2,29,31)(H,32,34).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 545.61 g/mol, XLogP of 4.38, 7 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]-6-[4-(difluoromethoxy)-3-methylphenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 175514761 — identifiers, structure, computed properties (public domain)

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