1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one

C14H21F3N2O — CID 81320103

IUPAC1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C
InChIInChI=1S/C14H21F3N2O/c1-5-18-10(13(2,3)4)9-19-11(14(15,16)17)7-6-8-12(19)20/h6-8,10,18H,5,9H2,1-4H3
InChIKeyGPXFFMIXTWISPH-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81320103) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81320103
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C
InChIInChI=1S/C14H21F3N2O/c1-5-18-10(13(2,3)4)9-19-11(14(15,16)17)7-6-8-12(19)20/h6-8,10,18H,5,9H2,1-4H3
InChIKeyGPXFFMIXTWISPH-UHFFFAOYSA-N
XLogP2.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(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-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one (CID 81320103) is 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one is CCNC(Cn1c(C(F)(F)F)cccc1=O)C(C)(C)C.
What is the InChIKey of 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is GPXFFMIXTWISPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-5-18-10(13(2,3)4)9-19-11(14(15,16)17)7-6-8-12(19)20/h6-8,10,18H,5,9H2,1-4H3.
What are the key properties of 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 290.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3,3-dimethylbutyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81320103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).