5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C24H24F3N5O2 — CID 170948645

About 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 170948645) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
• PubChem CID: 170948645
• Molecular Formula: C24H24F3N5O2
• Molecular Weight: 471.48 g/mol
• Exact Mass: 471.19
• IUPAC Name: 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
• SMILES: C=Cc1cc(C(=O)Nc2cccc(C3(c4nncn4C)CC(C)C3)c2)c(=O)n(CC(F)(F)F)c1
• InChI: InChI=1S/C24H24F3N5O2/c1-4-16-8-19(21(34)32(12-16)13-24(25,26)27)20(33)29-18-7-5-6-17(9-18)23(10-15(2)11-23)22-30-28-14-31(22)3/h4-9,12,14-15H,1,10-11,13H2,2-3H3,(H,29,33)
• InChIKey: IUZVIKOIZPAYNQ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.48
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The IUPAC name of 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 170948645) is 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is C=Cc1cc(C(=O)Nc2cccc(C3(c4nncn4C)CC(C)C3)c2)c(=O)n(CC(F)(F)F)c1.

What is the InChIKey of 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The InChIKey is IUZVIKOIZPAYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-4-16-8-19(21(34)32(12-16)13-24(25,26)27)20(33)29-18-7-5-6-17(9-18)23(10-15(2)11-23)22-30-28-14-31(22)3/h4-9,12,14-15H,1,10-11,13H2,2-3H3,(H,29,33).

What are the key properties of 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethenyl-N-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170948645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).