1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one

C11H18N2O2 — CID 82896635

IUPAC1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one
SMILESCC(O)CCNCCn1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-10(14)5-6-12-7-9-13-8-3-2-4-11(13)15/h2-4,8,10,12,14H,5-7,9H2,1H3
InChIKeyORXZQGAGNZGCEA-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.21
Rot. Bonds6

About 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one

1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one (PubChem CID 82896635) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one
PubChem CID82896635
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one
SMILESCC(O)CCNCCn1ccccc1=O
InChIInChI=1S/C11H18N2O2/c1-10(14)5-6-12-7-9-13-8-3-2-4-11(13)15/h2-4,8,10,12,14H,5-7,9H2,1H3
InChIKeyORXZQGAGNZGCEA-UHFFFAOYSA-N
XLogP0.21
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(3-hydroxybutylamino)ethyl]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-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one (CID 82896635) is 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one is CC(O)CCNCCn1ccccc1=O.
What is the InChIKey of 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one?
The InChIKey is ORXZQGAGNZGCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-10(14)5-6-12-7-9-13-8-3-2-4-11(13)15/h2-4,8,10,12,14H,5-7,9H2,1H3.
What are the key properties of 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one?
1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxybutylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 82896635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).