3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

C13H20N2O4 — CID 82217159

IUPAC3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(CCO)c(CN2CCCC2)c1O
InChIInChI=1S/C13H20N2O4/c16-6-5-15-10(9-17)7-12(18)13(19)11(15)8-14-3-1-2-4-14/h7,16-17,19H,1-6,8-9H2
InChIKeyFMICYFOOJOSCHS-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.37
Rot. Bonds5

About 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one

3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217159) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
PubChem CID82217159
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(CCO)c(CN2CCCC2)c1O
InChIInChI=1S/C13H20N2O4/c16-6-5-15-10(9-17)7-12(18)13(19)11(15)8-14-3-1-2-4-14/h7,16-17,19H,1-6,8-9H2
InChIKeyFMICYFOOJOSCHS-UHFFFAOYSA-N
XLogP-0.37
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 10933991
N-ethyl-1,6-dihydroxy-N-methyl-7-oxo-2,3-dihydro-1H-indolizine-5-carboxamide
CID 145342994
3-hydroxy-1,6-dimethyl-2-(pyrrolidin-1-ylmethyl)pyridin-4(1H)-one
CID 60175856
3-Hydroxy-1-(3-methoxypropyl)-6-methyl-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217102
3-Hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217103
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
CID 82217104
2-(Diethylaminomethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
CID 82217106
3-Hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one
CID 82217108
3-Hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
CID 82217109
2-[(Dimethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
CID 82217112
2-[[Bis(2-hydroxyethyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
CID 82217116
1-Butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 82217122

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one (CID 82217159) is 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is O=c1cc(CO)n(CCO)c(CN2CCCC2)c1O.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
The InChIKey is FMICYFOOJOSCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-6-5-15-10(9-17)7-12(18)13(19)11(15)8-14-3-1-2-4-14/h7,16-17,19H,1-6,8-9H2.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one has a molecular weight of 268.31 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).