3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one

C12H18N2O3 — CID 24881386

IUPAC3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)n1C
InChIInChI=1S/C12H18N2O3/c1-9-7-11(15)12(16)10(13(9)2)8-14-3-5-17-6-4-14/h7,16H,3-6,8H2,1-2H3
InChIKeyZQRJSYFMQXRCIM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.23
Rot. Bonds2

About 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one

3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 24881386) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID24881386
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)n1C
InChIInChI=1S/C12H18N2O3/c1-9-7-11(15)12(16)10(13(9)2)8-14-3-5-17-6-4-14/h7,16H,3-6,8H2,1-2H3
InChIKeyZQRJSYFMQXRCIM-UHFFFAOYSA-N
XLogP0.23
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Hydroxy-2-methyl-1-(2-morpholin-4-ylethyl)pyridin-4-one
CID 20688193
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
3-hydroxy-1-methyl-2,6-bis(morpholinomethyl)pyridin-4(1H)-one
CID 71701660
3-hydroxy-1-methyl-6-(morpholinomethyl)-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 71704074
3-hydroxy-1-methyl-6-(morpholinomethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4(1H)-one
CID 71708923
3-Hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methyl-pyran-4-one
CID 71591127
3-Hydroxy-1,6-dimethyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
CID 126715396
3-Hydroxy-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 126715427
3-Hydroxy-1-methyl-2-(2,2,2-trifluoro-1-morpholin-4-ylethyl)pyridin-4-one
CID 126715428
2-(2,2-Difluoro-1-morpholin-4-ylethyl)-3-hydroxy-1-methylpyridin-4-one
CID 126715449
3-Hydroxy-6-methyl-2-(morpholin-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 126715470

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 24881386) is 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCOCC2)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is ZQRJSYFMQXRCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-7-11(15)12(16)10(13(9)2)8-14-3-5-17-6-4-14/h7,16H,3-6,8H2,1-2H3.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,6-dimethyl-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 24881386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).