2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide

C25H26F4N4O — CID 68765406

About 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide

2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 68765406) has the molecular formula C25H26F4N4O and a molecular weight of 474.50 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide
• PubChem CID: 68765406
• Molecular Formula: C25H26F4N4O
• Molecular Weight: 474.50 g/mol
• Exact Mass: 474.20
• IUPAC Name: 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide
• SMILES: CNC(=O)C(NC(CCc1ccc(C(F)(F)F)nc1)c1ccc(F)c(C)c1)c1ccc(C)nc1
• InChI: InChI=1S/C25H26F4N4O/c1-15-12-18(8-9-20(15)26)21(10-5-17-6-11-22(32-13-17)25(27,28)29)33-23(24(34)30-3)19-7-4-16(2)31-14-19/h4,6-9,11-14,21,23,33H,5,10H2,1-3H3,(H,30,34)
• InChIKey: JWCLFBURRTYWSB-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.50
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide?

The IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide (CID 68765406) is 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide.

What is the SMILES notation for 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide?

The canonical SMILES for 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide is CNC(=O)C(NC(CCc1ccc(C(F)(F)F)nc1)c1ccc(F)c(C)c1)c1ccc(C)nc1.

What is the InChIKey of 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide?

The InChIKey is JWCLFBURRTYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O/c1-15-12-18(8-9-20(15)26)21(10-5-17-6-11-22(32-13-17)25(27,28)29)33-23(24(34)30-3)19-7-4-16(2)31-14-19/h4,6-9,11-14,21,23,33H,5,10H2,1-3H3,(H,30,34).

What are the key properties of 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide?

2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 474.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-N-methyl-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 68765406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).