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

C10H13F3N2O — CID 167076905

IUPAC1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCCn1ccc(C)c(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-3-15-5-4-7(2)8(9(15)16)14-6-10(11,12)13/h4-5,14H,3,6H2,1-2H3
InChIKeyDWQALHUICHNIBQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.15
Rot. Bonds3

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

1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (PubChem CID 167076905) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
PubChem CID167076905
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
SMILESCCn1ccc(C)c(NCC(F)(F)F)c1=O
InChIInChI=1S/C10H13F3N2O/c1-3-15-5-4-7(2)8(9(15)16)14-6-10(11,12)13/h4-5,14H,3,6H2,1-2H3
InChIKeyDWQALHUICHNIBQ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one (CID 167076905) is 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is CCn1ccc(C)c(NCC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
The InChIKey is DWQALHUICHNIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-3-15-5-4-7(2)8(9(15)16)14-6-10(11,12)13/h4-5,14H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one?
1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one is sourced from PubChem (CID 167076905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).