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

C12H18N2O4 — CID 24881389

IUPAC3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCn1c(CO)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C12H18N2O4/c1-13-9(8-15)6-11(16)12(17)10(13)7-14-2-4-18-5-3-14/h6,15,17H,2-5,7-8H2,1H3
InChIKeyXYNWLGSPPWTMLT-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.58
Rot. Bonds3

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

3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 24881389) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID24881389
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCn1c(CO)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C12H18N2O4/c1-13-9(8-15)6-11(16)12(17)10(13)7-14-2-4-18-5-3-14/h6,15,17H,2-5,7-8H2,1H3
InChIKeyXYNWLGSPPWTMLT-UHFFFAOYSA-N
XLogP-0.58
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 24881389) is 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one is Cn1c(CO)cc(=O)c(O)c1CN1CCOCC1.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is XYNWLGSPPWTMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13-9(8-15)6-11(16)12(17)10(13)7-14-2-4-18-5-3-14/h6,15,17H,2-5,7-8H2,1H3.
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 254.29 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 24881389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).