N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C24H22F4N2O4S — CID 58769038

About N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 58769038) has the molecular formula C24H22F4N2O4S and a molecular weight of 510.51 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 58769038
• Molecular Formula: C24H22F4N2O4S
• Molecular Weight: 510.51 g/mol
• Exact Mass: 510.12
• IUPAC Name: N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CS(=O)(=O)c1cccc(C(CCNC(=O)c2ccc(OCC(F)(F)F)nc2)c2ccc(F)cc2)c1
• InChI: InChI=1S/C24H22F4N2O4S/c1-35(32,33)20-4-2-3-17(13-20)21(16-5-8-19(25)9-6-16)11-12-29-23(31)18-7-10-22(30-14-18)34-15-24(26,27)28/h2-10,13-14,21H,11-12,15H2,1H3,(H,29,31)
• InChIKey: JRGVVEGSJBZPPP-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 85.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.51
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 58769038) is N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CS(=O)(=O)c1cccc(C(CCNC(=O)c2ccc(OCC(F)(F)F)nc2)c2ccc(F)cc2)c1.

What is the InChIKey of N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is JRGVVEGSJBZPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O4S/c1-35(32,33)20-4-2-3-17(13-20)21(16-5-8-19(25)9-6-16)11-12-29-23(31)18-7-10-22(30-14-18)34-15-24(26,27)28/h2-10,13-14,21H,11-12,15H2,1H3,(H,29,31).

What are the key properties of N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 510.51 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 58769038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).