N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C26H24F4N4O2 — CID 69190089

About N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 69190089) has the molecular formula C26H24F4N4O2 and a molecular weight of 500.50 g/mol. Its IUPAC name is N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

• Compound Name: N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• PubChem CID: 69190089
• Molecular Formula: C26H24F4N4O2
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.18
• IUPAC Name: N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• SMILES: CC(c1ccc(F)cc1)C(CNC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)c1cncc(C#N)c1
• InChI: InChI=1S/C26H24F4N4O2/c1-16(18-4-7-21(27)8-5-18)22(19-10-17(11-31)12-32-13-19)15-34-24(35)25(2,3)36-23-9-6-20(14-33-23)26(28,29)30/h4-10,12-14,16,22H,15H2,1-3H3,(H,34,35)
• InChIKey: PLDLHZLJPWZJPW-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The IUPAC name of N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 69190089) is N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

What is the SMILES notation for N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The canonical SMILES for N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CC(c1ccc(F)cc1)C(CNC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)c1cncc(C#N)c1.

What is the InChIKey of N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The InChIKey is PLDLHZLJPWZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N4O2/c1-16(18-4-7-21(27)8-5-18)22(19-10-17(11-31)12-32-13-19)15-34-24(35)25(2,3)36-23-9-6-20(14-33-23)26(28,29)30/h4-10,12-14,16,22H,15H2,1-3H3,(H,34,35).

What are the key properties of N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 500.50 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-cyano-3-pyridinyl)-3-(4-fluorophenyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 69190089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).