3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one

C13H22N2O3 — CID 82217447

IUPAC3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1C(C)C
InChIInChI=1S/C13H22N2O3/c1-9(2)15-10(3)7-12(17)13(18)11(15)8-14(4)5-6-16/h7,9,16,18H,5-6,8H2,1-4H3
InChIKeyJCQPGGRYCNSJCK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.87
Rot. Bonds5

About 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one

3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one (PubChem CID 82217447) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one
PubChem CID82217447
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1C(C)C
InChIInChI=1S/C13H22N2O3/c1-9(2)15-10(3)7-12(17)13(18)11(15)8-14(4)5-6-16/h7,9,16,18H,5-6,8H2,1-4H3
InChIKeyJCQPGGRYCNSJCK-UHFFFAOYSA-N
XLogP0.87
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one (CID 82217447) is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one is Cc1cc(=O)c(O)c(CN(C)CCO)n1C(C)C.
What is the InChIKey of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one?
The InChIKey is JCQPGGRYCNSJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)15-10(3)7-12(17)13(18)11(15)8-14(4)5-6-16/h7,9,16,18H,5-6,8H2,1-4H3.
What are the key properties of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one?
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one has a molecular weight of 254.33 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 82217447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).