2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C23H23F3N2O3 — CID 170763341

About 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 170763341) has the molecular formula C23H23F3N2O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

• Compound Name: 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
• PubChem CID: 170763341
• Molecular Formula: C23H23F3N2O3
• Molecular Weight: 432.44 g/mol
• Exact Mass: 432.17
• IUPAC Name: 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
• SMILES: Cc1cc(OCC(=O)N(C)CC(F)(F)F)cc(=O)n1Cc1ccc(C#CC2CC2)cc1
• InChI: InChI=1S/C23H23F3N2O3/c1-16-11-20(31-14-22(30)27(2)15-23(24,25)26)12-21(29)28(16)13-19-9-7-18(8-10-19)6-5-17-3-4-17/h7-12,17H,3-4,13-15H2,1-2H3
• InChIKey: AAAOALOPMQEGGU-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 51.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.44
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

The IUPAC name of 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 170763341) is 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

What is the SMILES notation for 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

The canonical SMILES for 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(OCC(=O)N(C)CC(F)(F)F)cc(=O)n1Cc1ccc(C#CC2CC2)cc1.

What is the InChIKey of 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

The InChIKey is AAAOALOPMQEGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3/c1-16-11-20(31-14-22(30)27(2)15-23(24,25)26)12-21(29)28(16)13-19-9-7-18(8-10-19)6-5-17-3-4-17/h7-12,17H,3-4,13-15H2,1-2H3.

What are the key properties of 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?

2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 432.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-[[4-(2-cyclopropylethynyl)phenyl]methyl]-2-methyl-6-oxo-4-pyridinyl]oxy]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 170763341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).