2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one

C15H26N2O3 — CID 82217210

IUPAC2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
SMILESCCCCN(C)Cc1c(O)c(=O)cc(C)n1CCCO
InChIInChI=1S/C15H26N2O3/c1-4-5-7-16(3)11-13-15(20)14(19)10-12(2)17(13)8-6-9-18/h10,18,20H,4-9,11H2,1-3H3
InChIKeyAVLORLIAKRHRRS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds8

About 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one

2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one (PubChem CID 82217210) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
PubChem CID82217210
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one
SMILESCCCCN(C)Cc1c(O)c(=O)cc(C)n1CCCO
InChIInChI=1S/C15H26N2O3/c1-4-5-7-16(3)11-13-15(20)14(19)10-12(2)17(13)8-6-9-18/h10,18,20H,4-9,11H2,1-3H3
InChIKeyAVLORLIAKRHRRS-UHFFFAOYSA-N
XLogP1.48
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-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-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The IUPAC name of 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one (CID 82217210) is 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one.
What is the SMILES notation for 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The canonical SMILES for 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one is CCCCN(C)Cc1c(O)c(=O)cc(C)n1CCCO.
What is the InChIKey of 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
The InChIKey is AVLORLIAKRHRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-5-7-16(3)11-13-15(20)14(19)10-12(2)17(13)8-6-9-18/h10,18,20H,4-9,11H2,1-3H3.
What are the key properties of 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one?
2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one has a molecular weight of 282.38 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)amino]methyl]-3-hydroxy-1-(3-hydroxypropyl)-6-methylpyridin-4-one is sourced from PubChem (CID 82217210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).