1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one

C8H12N2O2 — CID 82503073

IUPAC1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCN
InChIInChI=1S/C8H12N2O2/c1-6-4-7(11)5-8(12)10(6)3-2-9/h4-5,11H,2-3,9H2,1H3
InChIKeyJELDNVQIWMKJGH-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.18
Rot. Bonds2

About 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one

1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one (PubChem CID 82503073) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one
PubChem CID82503073
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCN
InChIInChI=1S/C8H12N2O2/c1-6-4-7(11)5-8(12)10(6)3-2-9/h4-5,11H,2-3,9H2,1H3
InChIKeyJELDNVQIWMKJGH-UHFFFAOYSA-N
XLogP-0.18
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-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-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one (CID 82503073) is 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CCN.
What is the InChIKey of 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is JELDNVQIWMKJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-4-7(11)5-8(12)10(6)3-2-9/h4-5,11H,2-3,9H2,1H3.
What are the key properties of 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one?
1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 82503073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).