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

C11H15F3N2O — CID 165387444

IUPAC4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCc1ccn(C(C)C)c(=O)c1NCC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-7(2)16-5-4-8(3)9(10(16)17)15-6-11(12,13)14/h4-5,7,15H,6H2,1-3H3
InChIKeyLWHGLGCNDDQUBW-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.71
Rot. Bonds3

About 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one

4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (PubChem CID 165387444) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
PubChem CID165387444
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCc1ccn(C(C)C)c(=O)c1NCC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-7(2)16-5-4-8(3)9(10(16)17)15-6-11(12,13)14/h4-5,7,15H,6H2,1-3H3
InChIKeyLWHGLGCNDDQUBW-UHFFFAOYSA-N
XLogP2.71
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-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 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The IUPAC name of 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (CID 165387444) is 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.
What is the SMILES notation for 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The canonical SMILES for 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is Cc1ccn(C(C)C)c(=O)c1NCC(F)(F)F.
What is the InChIKey of 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The InChIKey is LWHGLGCNDDQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(2)16-5-4-8(3)9(10(16)17)15-6-11(12,13)14/h4-5,7,15H,6H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one has a molecular weight of 248.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is sourced from PubChem (CID 165387444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).