2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one

C15H26N2O4 — CID 82217156

IUPAC2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(CO)n1CCO
InChIInChI=1S/C15H26N2O4/c1-3-5-6-16(4-2)10-13-15(21)14(20)9-12(11-19)17(13)7-8-18/h9,18-19,21H,3-8,10-11H2,1-2H3
InChIKeyJHBMTYBDSOGLES-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.66
Rot. Bonds9

About 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one

2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one (PubChem CID 82217156) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one
PubChem CID82217156
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one
SMILESCCCCN(CC)Cc1c(O)c(=O)cc(CO)n1CCO
InChIInChI=1S/C15H26N2O4/c1-3-5-6-16(4-2)10-13-15(21)14(20)9-12(11-19)17(13)7-8-18/h9,18-19,21H,3-8,10-11H2,1-2H3
InChIKeyJHBMTYBDSOGLES-UHFFFAOYSA-N
XLogP0.66
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Hydroxy-2-(1-hydroxypropyl)-1,6-dimethylpyridin-4-one
CID 10330338
3-Hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one
CID 18428303
1-Ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
CID 23378015
3-Hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4(1H)-one
CID 23378020
3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 10933991
3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 24881389
2-[(Dimethylamino)methyl]-3-hydroxy-1-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 49869890
6-[(Dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 70895939
2-[(Dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 90346849
1-(2-Fluoroethyl)-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
CID 118407923
3-Hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one;hydrochloride
CID 18678812
3-Hydroxy-2,6-bis(hydroxymethyl)-1-methylpyridin-4-one
CID 23378021

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one (CID 82217156) is 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one is CCCCN(CC)Cc1c(O)c(=O)cc(CO)n1CCO.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
The InChIKey is JHBMTYBDSOGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-5-6-16(4-2)10-13-15(21)14(20)9-12(11-19)17(13)7-8-18/h9,18-19,21H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one?
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one has a molecular weight of 298.38 g/mol, XLogP of 0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 82217156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).