1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one

C10H16N2O2 — CID 142097963

IUPAC1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCc1cc(=O)n(CCCN)c(O)c1C
InChIInChI=1S/C10H16N2O2/c1-7-6-9(13)12(5-3-4-11)10(14)8(7)2/h6,14H,3-5,11H2,1-2H3
InChIKeyQPLYVHMOMDXZIC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.52
Rot. Bonds3

About 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one

1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one (PubChem CID 142097963) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one
PubChem CID142097963
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCc1cc(=O)n(CCCN)c(O)c1C
InChIInChI=1S/C10H16N2O2/c1-7-6-9(13)12(5-3-4-11)10(14)8(7)2/h6,14H,3-5,11H2,1-2H3
InChIKeyQPLYVHMOMDXZIC-UHFFFAOYSA-N
XLogP0.52
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-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-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The IUPAC name of 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one (CID 142097963) is 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The canonical SMILES for 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one is Cc1cc(=O)n(CCCN)c(O)c1C.
What is the InChIKey of 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The InChIKey is QPLYVHMOMDXZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7-6-9(13)12(5-3-4-11)10(14)8(7)2/h6,14H,3-5,11H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-6-hydroxy-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 142097963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).