1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

C12H15F3N2O — CID 63913329

IUPAC1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNC(Cn1cc(C(F)(F)F)ccc1=O)C1CC1
InChIInChI=1S/C12H15F3N2O/c1-16-10(8-2-3-8)7-17-6-9(12(13,14)15)4-5-11(17)18/h4-6,8,10,16H,2-3,7H2,1H3
InChIKeyCYQFQTDWIDPSCL-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.87
Rot. Bonds4

About 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63913329) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63913329
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNC(Cn1cc(C(F)(F)F)ccc1=O)C1CC1
InChIInChI=1S/C12H15F3N2O/c1-16-10(8-2-3-8)7-17-6-9(12(13,14)15)4-5-11(17)18/h4-6,8,10,16H,2-3,7H2,1H3
InChIKeyCYQFQTDWIDPSCL-UHFFFAOYSA-N
XLogP1.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63913329) is 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is CNC(Cn1cc(C(F)(F)F)ccc1=O)C1CC1.
What is the InChIKey of 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CYQFQTDWIDPSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-16-10(8-2-3-8)7-17-6-9(12(13,14)15)4-5-11(17)18/h4-6,8,10,16H,2-3,7H2,1H3.
What are the key properties of 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 260.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-2-(methylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63913329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).