1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one

C14H24N2O3 — CID 82217132

IUPAC1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O3/c1-5-10(2)16-11(3)8-13(18)14(19)12(16)9-15(4)6-7-17/h8,10,17,19H,5-7,9H2,1-4H3
InChIKeyQIGRKKUHMOJNNR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.26
Rot. Bonds6

About 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one

1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one (PubChem CID 82217132) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
PubChem CID82217132
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O3/c1-5-10(2)16-11(3)8-13(18)14(19)12(16)9-15(4)6-7-17/h8,10,17,19H,5-7,9H2,1-4H3
InChIKeyQIGRKKUHMOJNNR-UHFFFAOYSA-N
XLogP1.26
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one?
The IUPAC name of 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one (CID 82217132) is 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one?
The canonical SMILES for 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one is CCC(C)n1c(C)cc(=O)c(O)c1CN(C)CCO.
What is the InChIKey of 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one?
The InChIKey is QIGRKKUHMOJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-10(2)16-11(3)8-13(18)14(19)12(16)9-15(4)6-7-17/h8,10,17,19H,5-7,9H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one?
1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one has a molecular weight of 268.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methylpyridin-4-one is sourced from PubChem (CID 82217132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).