2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one

C17H22N2O3 — CID 82217802

IUPAC2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(CCO)Cc2ccccc2)n1C
InChIInChI=1S/C17H22N2O3/c1-13-10-16(21)17(22)15(18(13)2)12-19(8-9-20)11-14-6-4-3-5-7-14/h3-7,10,20,22H,8-9,11-12H2,1-2H3
InChIKeySRHYGKFDYICQIL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.39
Rot. Bonds6

About 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one

2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one (PubChem CID 82217802) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
PubChem CID82217802
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(CCO)Cc2ccccc2)n1C
InChIInChI=1S/C17H22N2O3/c1-13-10-16(21)17(22)15(18(13)2)12-19(8-9-20)11-14-6-4-3-5-7-14/h3-7,10,20,22H,8-9,11-12H2,1-2H3
InChIKeySRHYGKFDYICQIL-UHFFFAOYSA-N
XLogP1.39
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[benzyl(propan-2-yl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217765
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butyl-3-hydroxy-6-methylpyridin-4-one
CID 82217360
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
2-[[bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
2-[[benzyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyran-4-one
CID 60685068
3-hydroxy-1-(2-hydroxyethyl)-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
CID 82217175
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one
CID 82217447
1-benzyl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one
CID 94958935
2-[[benzyl(methyl)amino]methyl]-3-hydroxy-6-methyl-1-prop-2-enylpyridin-4-one
CID 82217575
bis(2-(aminomethyl)-3-hydroxy-1,6-dimethylpyridin-4-one);trihydrochloride
CID 172810517

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one (CID 82217802) is 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one is Cc1cc(=O)c(O)c(CN(CCO)Cc2ccccc2)n1C.
What is the InChIKey of 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
The InChIKey is SRHYGKFDYICQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-10-16(21)17(22)15(18(13)2)12-19(8-9-20)11-14-6-4-3-5-7-14/h3-7,10,20,22H,8-9,11-12H2,1-2H3.
What are the key properties of 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one?
2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one has a molecular weight of 302.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 82217802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).