2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one

C12H20N2O — CID 79884849

IUPAC2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNCCn1c(C)cc(=O)cc1C
InChIInChI=1S/C12H20N2O/c1-4-5-13-6-7-14-10(2)8-12(15)9-11(14)3/h8-9,13H,4-7H2,1-3H3
InChIKeyOEBKWJSRUBUEKW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.46
Rot. Bonds5

About 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one

2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one (PubChem CID 79884849) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one
PubChem CID79884849
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one
SMILESCCCNCCn1c(C)cc(=O)cc1C
InChIInChI=1S/C12H20N2O/c1-4-5-13-6-7-14-10(2)8-12(15)9-11(14)3/h8-9,13H,4-7H2,1-3H3
InChIKeyOEBKWJSRUBUEKW-UHFFFAOYSA-N
XLogP1.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-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 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one?
The IUPAC name of 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one (CID 79884849) is 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one?
The canonical SMILES for 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one is CCCNCCn1c(C)cc(=O)cc1C.
What is the InChIKey of 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one?
The InChIKey is OEBKWJSRUBUEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-13-6-7-14-10(2)8-12(15)9-11(14)3/h8-9,13H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one?
2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one has a molecular weight of 208.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-[2-(propylamino)ethyl]pyridin-4-one is sourced from PubChem (CID 79884849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).