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

C25H26F3N5O3S — CID 153427356

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

4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427356) has the molecular formula C25H26F3N5O3S and a molecular weight of 533.58 g/mol. Its IUPAC name is 4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 153427356
• Molecular Formula: C25H26F3N5O3S
• Molecular Weight: 533.58 g/mol
• Exact Mass: 533.17
• IUPAC Name: 4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2nccc(S(=O)(=O)c3cccc(Nc4ccc(C(F)(F)F)cc4)n3)c2C(N)=O)C(C)(C)C1
• InChI: InChI=1S/C25H26F3N5O3S/c1-15-13-24(2,3)33(14-15)23-21(22(29)34)18(11-12-30-23)37(35,36)20-6-4-5-19(32-20)31-17-9-7-16(8-10-17)25(26,27)28/h4-12,15H,13-14H2,1-3H3,(H2,29,34)(H,31,32)
• InChIKey: ALPZUPWRRFQENF-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.58
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427356) is 4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for 4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(Nc4ccc(C(F)(F)F)cc4)n3)c2C(N)=O)C(C)(C)C1.

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

The InChIKey is ALPZUPWRRFQENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3S/c1-15-13-24(2,3)33(14-15)23-21(22(29)34)18(11-12-30-23)37(35,36)20-6-4-5-19(32-20)31-17-9-7-16(8-10-17)25(26,27)28/h4-12,15H,13-14H2,1-3H3,(H2,29,34)(H,31,32).

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

4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 533.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).