3-amino-1-(2-methoxyethyl)pyridin-4-one

C8H12N2O2 — CID 82993717

IUPAC3-amino-1-(2-methoxyethyl)pyridin-4-one
SMILESCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C8H12N2O2/c1-12-5-4-10-3-2-8(11)7(9)6-10/h2-3,6H,4-5,9H2,1H3
InChIKeyOKGWIYKKLAWRMO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.08
Rot. Bonds3

About 3-amino-1-(2-methoxyethyl)pyridin-4-one

3-amino-1-(2-methoxyethyl)pyridin-4-one (PubChem CID 82993717) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)pyridin-4-one
PubChem CID82993717
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-amino-1-(2-methoxyethyl)pyridin-4-one
SMILESCOCCn1ccc(=O)c(N)c1
InChIInChI=1S/C8H12N2O2/c1-12-5-4-10-3-2-8(11)7(9)6-10/h2-3,6H,4-5,9H2,1H3
InChIKeyOKGWIYKKLAWRMO-UHFFFAOYSA-N
XLogP0.08
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(2-methoxyethyl)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 3-amino-1-(2-methoxyethyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(2-methoxyethyl)pyridin-4-one (CID 82993717) is 3-amino-1-(2-methoxyethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)pyridin-4-one is COCCn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)pyridin-4-one?
The InChIKey is OKGWIYKKLAWRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-12-5-4-10-3-2-8(11)7(9)6-10/h2-3,6H,4-5,9H2,1H3.
What are the key properties of 3-amino-1-(2-methoxyethyl)pyridin-4-one?
3-amino-1-(2-methoxyethyl)pyridin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methoxyethyl)pyridin-4-one is sourced from PubChem (CID 82993717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).