1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

C13H17F3N2O2 — CID 104747694

IUPAC1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNC(Cn1cc(C(F)(F)F)ccc1=O)C1CCOC1
InChIInChI=1S/C13H17F3N2O2/c1-17-11(9-4-5-20-8-9)7-18-6-10(13(14,15)16)2-3-12(18)19/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyCGBVFRJVYUZGKK-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.49
Rot. Bonds4

About 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 104747694) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID104747694
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCNC(Cn1cc(C(F)(F)F)ccc1=O)C1CCOC1
InChIInChI=1S/C13H17F3N2O2/c1-17-11(9-4-5-20-8-9)7-18-6-10(13(14,15)16)2-3-12(18)19/h2-3,6,9,11,17H,4-5,7-8H2,1H3
InChIKeyCGBVFRJVYUZGKK-UHFFFAOYSA-N
XLogP1.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(methylamino)-2-(oxolan-3-yl)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-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 104747694) is 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one is CNC(Cn1cc(C(F)(F)F)ccc1=O)C1CCOC1.
What is the InChIKey of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CGBVFRJVYUZGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-17-11(9-4-5-20-8-9)7-18-6-10(13(14,15)16)2-3-12(18)19/h2-3,6,9,11,17H,4-5,7-8H2,1H3.
What are the key properties of 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-(oxolan-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 104747694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).