2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide

C26H20F3N3O — CID 58447817

IUPAC2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)cn3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C26H20F3N3O/c1-17-13-20(11-12-30-17)22-9-7-18(14-23(22)26(27,28)29)15-25(33)32-24-10-8-21(16-31-24)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3,(H,31,32,33)
InChIKeyYRLXVKKXPUUYFL-UHFFFAOYSA-N
MW447.46 g/mol
LogP6.32
Rot. Bonds5

About 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide

2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide (PubChem CID 58447817) has the molecular formula C26H20F3N3O and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide
PubChem CID58447817
Molecular FormulaC26H20F3N3O
Molecular Weight447.46 g/mol
Exact Mass447.16
IUPAC Name2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)cn3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C26H20F3N3O/c1-17-13-20(11-12-30-17)22-9-7-18(14-23(22)26(27,28)29)15-25(33)32-24-10-8-21(16-31-24)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3,(H,31,32,33)
InChIKeyYRLXVKKXPUUYFL-UHFFFAOYSA-N
XLogP6.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide (CID 58447817) is 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)cn3)cc2C(F)(F)F)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide?
The InChIKey is YRLXVKKXPUUYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O/c1-17-13-20(11-12-30-17)22-9-7-18(14-23(22)26(27,28)29)15-25(33)32-24-10-8-21(16-31-24)19-5-3-2-4-6-19/h2-14,16H,15H2,1H3,(H,31,32,33).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide?
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide has a molecular weight of 447.46 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).