N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H26F3N5O4S — CID 121250535

About N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121250535) has the molecular formula C25H26F3N5O4S and a molecular weight of 549.58 g/mol. Its IUPAC name is N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121250535
• Molecular Formula: C25H26F3N5O4S
• Molecular Weight: 549.58 g/mol
• Exact Mass: 549.17
• IUPAC Name: N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3ccc(C(F)(F)F)nc3)n2)C(C)(C)C1
• InChI: InChI=1S/C25H26F3N5O4S/c1-16-12-24(2,3)33(14-16)22-18(6-5-11-29-22)23(34)32-38(35,36)21-8-4-7-20(31-21)37-15-17-9-10-19(30-13-17)25(26,27)28/h4-11,13,16H,12,14-15H2,1-3H3,(H,32,34)
• InChIKey: HYICTFXTDWTIFE-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.58
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121250535) is N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3ccc(C(F)(F)F)nc3)n2)C(C)(C)C1.

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

The InChIKey is HYICTFXTDWTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O4S/c1-16-12-24(2,3)33(14-16)22-18(6-5-11-29-22)23(34)32-38(35,36)21-8-4-7-20(31-21)37-15-17-9-10-19(30-13-17)25(26,27)28/h4-11,13,16H,12,14-15H2,1-3H3,(H,32,34).

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

N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 549.58 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121250535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).