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

C25H25F3N4O4S — CID 121250856

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

N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121250856) has the molecular formula C25H25F3N4O4S and a molecular weight of 534.56 g/mol. Its IUPAC name is N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121250856
• Molecular Formula: C25H25F3N4O4S
• Molecular Weight: 534.56 g/mol
• Exact Mass: 534.15
• IUPAC Name: N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)n2)C(C)(C)C1
• InChI: InChI=1S/C25H25F3N4O4S/c1-16-14-24(2,3)32(15-16)22-19(9-6-12-29-22)23(33)31-37(34,35)21-11-5-10-20(30-21)36-18-8-4-7-17(13-18)25(26,27)28/h4-13,16H,14-15H2,1-3H3,(H,31,33)
• InChIKey: XDDHVULNTKBMLJ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.56
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121250856) is N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)n2)C(C)(C)C1.

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

The InChIKey is XDDHVULNTKBMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4S/c1-16-14-24(2,3)32(15-16)22-19(9-6-12-29-22)23(33)31-37(34,35)21-11-5-10-20(30-21)36-18-8-4-7-17(13-18)25(26,27)28/h4-13,16H,14-15H2,1-3H3,(H,31,33).

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

N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 534.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121250856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).