1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one

C13H19F3N2O2 — CID 63279870

IUPAC1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H19F3N2O2/c1-20-9-7-17-6-2-3-8-18-10-11(13(14,15)16)4-5-12(18)19/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyHDARZYJYTRPDEQ-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.88
Rot. Bonds8

About 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one

1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279870) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279870
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCOCCNCCCCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H19F3N2O2/c1-20-9-7-17-6-2-3-8-18-10-11(13(14,15)16)4-5-12(18)19/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyHDARZYJYTRPDEQ-UHFFFAOYSA-N
XLogP1.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2-methoxyethylamino)butyl]-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-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one (CID 63279870) is 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one is COCCNCCCCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is HDARZYJYTRPDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-20-9-7-17-6-2-3-8-18-10-11(13(14,15)16)4-5-12(18)19/h4-5,10,17H,2-3,6-9H2,1H3.
What are the key properties of 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one?
1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 292.30 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylamino)butyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).