1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one

C10H13F3N2O — CID 165387428

IUPAC1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCC(C)n1cccc(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-7(2)15-5-3-4-8(9(15)16)14-6-10(11,12)13/h3-5,7,14H,6H2,1-2H3
InChIKeyGNGLZLHLIBENTI-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.40
Rot. Bonds3

About 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one

1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (PubChem CID 165387428) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
PubChem CID165387428
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCC(C)n1cccc(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-7(2)15-5-3-4-8(9(15)16)14-6-10(11,12)13/h3-5,7,14H,6H2,1-2H3
InChIKeyGNGLZLHLIBENTI-UHFFFAOYSA-N
XLogP2.40
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)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-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The IUPAC name of 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (CID 165387428) is 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is CC(C)n1cccc(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The InChIKey is GNGLZLHLIBENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-7(2)15-5-3-4-8(9(15)16)14-6-10(11,12)13/h3-5,7,14H,6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is sourced from PubChem (CID 165387428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).