N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C23H22F4N4O5S — CID 131965427

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 131965427) has the molecular formula C23H22F4N4O5S and a molecular weight of 542.51 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 131965427
• Molecular Formula: C23H22F4N4O5S
• Molecular Weight: 542.51 g/mol
• Exact Mass: 542.12
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCC(F)(F)F)n2)c1
• InChI: InChI=1S/C23H22F4N4O5S/c1-13(2)11-35-16-9-14(8-15(24)10-16)18-7-6-17(22(29-18)36-12-23(25,26)27)21(32)31-37(33,34)20-5-3-4-19(28)30-20/h3-10,13H,11-12H2,1-2H3,(H2,28,30)(H,31,32)
• InChIKey: PQERJLQFOWTFJY-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.51
LogP ≤ 5	3.96
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-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 131965427) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCC(F)(F)F)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is PQERJLQFOWTFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N4O5S/c1-13(2)11-35-16-9-14(8-15(24)10-16)18-7-6-17(22(29-18)36-12-23(25,26)27)21(32)31-37(33,34)20-5-3-4-19(28)30-20/h3-10,13H,11-12H2,1-2H3,(H2,28,30)(H,31,32).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 542.51 g/mol, XLogP of 3.96, 9 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-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 131965427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).