4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C26H21F3N4O — CID 58396931

About 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 58396931) has the molecular formula C26H21F3N4O and a molecular weight of 462.48 g/mol. Its IUPAC name is 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
• PubChem CID: 58396931
• Molecular Formula: C26H21F3N4O
• Molecular Weight: 462.48 g/mol
• Exact Mass: 462.17
• IUPAC Name: 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
• SMILES: Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1Cc1ncccc1-c1ccncn1
• InChI: InChI=1S/C26H21F3N4O/c1-17-8-9-18(25(34)32-15-19-5-2-3-7-22(19)26(27,28)29)13-20(17)14-24-21(6-4-11-31-24)23-10-12-30-16-33-23/h2-13,16H,14-15H2,1H3,(H,32,34)
• InChIKey: WCLZFNSMBIMSCJ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.48
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?

The IUPAC name of 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 58396931) is 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

What is the SMILES notation for 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?

The canonical SMILES for 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1Cc1ncccc1-c1ccncn1.

What is the InChIKey of 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?

The InChIKey is WCLZFNSMBIMSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O/c1-17-8-9-18(25(34)32-15-19-5-2-3-7-22(19)26(27,28)29)13-20(17)14-24-21(6-4-11-31-24)23-10-12-30-16-33-23/h2-13,16H,14-15H2,1H3,(H,32,34).

What are the key properties of 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?

4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 462.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 58396931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).