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

C14H24N2O4 — CID 82217133

IUPAC1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one
SMILESCCC(C)n1c(CO)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O4/c1-4-10(2)16-11(9-18)7-13(19)14(20)12(16)8-15(3)5-6-17/h7,10,17-18,20H,4-6,8-9H2,1-3H3
InChIKeyOSZZFYZIJJNHTE-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.44
Rot. Bonds7

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

1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one (PubChem CID 82217133) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one
PubChem CID82217133
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one
SMILESCCC(C)n1c(CO)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O4/c1-4-10(2)16-11(9-18)7-13(19)14(20)12(16)8-15(3)5-6-17/h7,10,17-18,20H,4-6,8-9H2,1-3H3
InChIKeyOSZZFYZIJJNHTE-UHFFFAOYSA-N
XLogP0.44
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-Ethyl-3-hydroxy-6-(1-hydroxyethyl)-1-methylpyridin-4-one
CID 68223769

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one (CID 82217133) is 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one is CCC(C)n1c(CO)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-(hydroxymethyl)pyridin-4-one?
The InChIKey is OSZZFYZIJJNHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-10(2)16-11(9-18)7-13(19)14(20)12(16)8-15(3)5-6-17/h7,10,17-18,20H,4-6,8-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one?
1-butan-2-yl-3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)pyridin-4-one has a molecular weight of 284.36 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 82217133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).