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

C13H20N2O3 — CID 126731268

IUPAC3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(C(C)N2CCOCC2)n1C
InChIInChI=1S/C13H20N2O3/c1-9-8-11(16)13(17)12(14(9)3)10(2)15-4-6-18-7-5-15/h8,10,17H,4-7H2,1-3H3
InChIKeyADEYRAZDSOSYOC-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.79
Rot. Bonds2

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

3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one (PubChem CID 126731268) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one
PubChem CID126731268
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one
SMILESCc1cc(=O)c(O)c(C(C)N2CCOCC2)n1C
InChIInChI=1S/C13H20N2O3/c1-9-8-11(16)13(17)12(14(9)3)10(2)15-4-6-18-7-5-15/h8,10,17H,4-7H2,1-3H3
InChIKeyADEYRAZDSOSYOC-UHFFFAOYSA-N
XLogP0.79
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one (CID 126731268) is 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one is Cc1cc(=O)c(O)c(C(C)N2CCOCC2)n1C.
What is the InChIKey of 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
The InChIKey is ADEYRAZDSOSYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-8-11(16)13(17)12(14(9)3)10(2)15-4-6-18-7-5-15/h8,10,17H,4-7H2,1-3H3.
What are the key properties of 3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
3-hydroxy-1,6-dimethyl-2-(1-morpholin-4-ylethyl)pyridin-4-one has a molecular weight of 252.31 g/mol, XLogP of 0.79, 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-(1-morpholin-4-ylethyl)pyridin-4-one is sourced from PubChem (CID 126731268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).