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

C13H20N2O5 — CID 82217178

IUPAC3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(CCO)c(CN2CCOCC2)c1O
InChIInChI=1S/C13H20N2O5/c16-4-1-15-10(9-17)7-12(18)13(19)11(15)8-14-2-5-20-6-3-14/h7,16-17,19H,1-6,8-9H2
InChIKeyPFEAOOUIRYFPRN-UHFFFAOYSA-N
MW284.31 g/mol
LogP-1.13
Rot. Bonds5

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

3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 82217178) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID82217178
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESO=c1cc(CO)n(CCO)c(CN2CCOCC2)c1O
InChIInChI=1S/C13H20N2O5/c16-4-1-15-10(9-17)7-12(18)13(19)11(15)8-14-2-5-20-6-3-14/h7,16-17,19H,1-6,8-9H2
InChIKeyPFEAOOUIRYFPRN-UHFFFAOYSA-N
XLogP-1.13
TPSA95.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
CID 24881388
2-(azepan-1-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-1-(3-hydroxypropyl)pyridin-4-one
CID 94958490
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217135
3-hydroxy-6-(hydroxymethyl)-1-(2-methoxyethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217685
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94959200
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
CID 71700816
3-hydroxy-6-(hydroxymethyl)-1-(pyridin-4-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959072
3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217153
3-hydroxy-6-(hydroxymethyl)-2-[(4-methylpiperidin-1-yl)methyl]-1-prop-2-enylpyridin-4-one
CID 82217564
2-[(4-benzhydrylpiperazin-1-yl)methyl]-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)pyridin-4-one
CID 71708477

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 82217178) is 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one is O=c1cc(CO)n(CCO)c(CN2CCOCC2)c1O.
What is the InChIKey of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is PFEAOOUIRYFPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c16-4-1-15-10(9-17)7-12(18)13(19)11(15)8-14-2-5-20-6-3-14/h7,16-17,19H,1-6,8-9H2.
What are the key properties of 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one?
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 284.31 g/mol, XLogP of -1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).