N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C20H24F3N5O3S — CID 175515523

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175515523) has the molecular formula C20H24F3N5O3S and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 175515523
• Molecular Formula: C20H24F3N5O3S
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.16
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CC1(C)CCN(c2nc(C(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
• InChI: InChI=1S/C20H24F3N5O3S/c1-18(2)10-11-28(19(18,3)4)16-12(8-9-13(25-16)20(21,22)23)17(29)27-32(30,31)15-7-5-6-14(24)26-15/h5-9H,10-11H2,1-4H3,(H2,24,26)(H,27,29)
• InChIKey: XPSHDWQJJOHCIY-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.51
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 175515523) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC1(C)CCN(c2nc(C(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.

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

The InChIKey is XPSHDWQJJOHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O3S/c1-18(2)10-11-28(19(18,3)4)16-12(8-9-13(25-16)20(21,22)23)17(29)27-32(30,31)15-7-5-6-14(24)26-15/h5-9H,10-11H2,1-4H3,(H2,24,26)(H,27,29).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,2,3,3-tetramethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175515523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).