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

C25H19F3N4O — CID 58447758

IUPAC2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccn4)cn3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C25H19F3N4O/c1-16-12-18(9-11-29-16)20-7-5-17(13-21(20)25(26,27)28)14-24(33)32-23-8-6-19(15-31-23)22-4-2-3-10-30-22/h2-13,15H,14H2,1H3,(H,31,32,33)
InChIKeyIUYOBTPLDSJXQF-UHFFFAOYSA-N
MW448.45 g/mol
LogP5.71
Rot. Bonds5

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

2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (PubChem CID 58447758) has the molecular formula C25H19F3N4O and a molecular weight of 448.45 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
PubChem CID58447758
Molecular FormulaC25H19F3N4O
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccn4)cn3)cc2C(F)(F)F)ccn1
InChIInChI=1S/C25H19F3N4O/c1-16-12-18(9-11-29-16)20-7-5-17(13-21(20)25(26,27)28)14-24(33)32-23-8-6-19(15-31-23)22-4-2-3-10-30-22/h2-13,15H,14H2,1H3,(H,31,32,33)
InChIKeyIUYOBTPLDSJXQF-UHFFFAOYSA-N
XLogP5.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide (CID 58447758) is 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccn4)cn3)cc2C(F)(F)F)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
The InChIKey is IUYOBTPLDSJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O/c1-16-12-18(9-11-29-16)20-7-5-17(13-21(20)25(26,27)28)14-24(33)32-23-8-6-19(15-31-23)22-4-2-3-10-30-22/h2-13,15H,14H2,1H3,(H,31,32,33).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide?
2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide has a molecular weight of 448.45 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-pyridin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 58447758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).