N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide

C28H28F4N4O4S — CID 176719625

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide (PubChem CID 176719625) has the molecular formula C28H28F4N4O4S and a molecular weight of 592.62 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide
• PubChem CID: 176719625
• Molecular Formula: C28H28F4N4O4S
• Molecular Weight: 592.62 g/mol
• Exact Mass: 592.18
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(C3CC4CC4C3C(F)(F)F)n2)c1
• InChI: InChI=1S/C28H28F4N4O4S/c1-14(2)13-40-18-9-16(8-17(29)12-18)22-7-6-19(27(37)36-41(38,39)24-5-3-4-23(33)35-24)26(34-22)21-11-15-10-20(15)25(21)28(30,31)32/h3-9,12,14-15,20-21,25H,10-11,13H2,1-2H3,(H2,33,35)(H,36,37)
• InChIKey: ZKEOGJGRIZLYFE-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.62
LogP ≤ 5	5.32
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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide (CID 176719625) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(C3CC4CC4C3C(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-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide?

The InChIKey is ZKEOGJGRIZLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N4O4S/c1-14(2)13-40-18-9-16(8-17(29)12-18)22-7-6-19(27(37)36-41(38,39)24-5-3-4-23(33)35-24)26(34-22)21-11-15-10-20(15)25(21)28(30,31)32/h3-9,12,14-15,20-21,25H,10-11,13H2,1-2H3,(H2,33,35)(H,36,37).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide has a molecular weight of 592.62 g/mol, XLogP of 5.32, 8 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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-(trifluoromethyl)-3-bicyclo[3.1.0]hexanyl]pyridine-3-carboxamide is sourced from PubChem (CID 176719625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).