3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one

C12H18N2O3 — CID 126731267

IUPAC3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one
SMILESCC(c1c(O)c(=O)ccn1C)N1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-9(14-5-7-17-8-6-14)11-12(16)10(15)3-4-13(11)2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyCYTVDDGVHZFYNY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.48
Rot. Bonds2

About 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one

3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one (PubChem CID 126731267) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one
PubChem CID126731267
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one
SMILESCC(c1c(O)c(=O)ccn1C)N1CCOCC1
InChIInChI=1S/C12H18N2O3/c1-9(14-5-7-17-8-6-14)11-12(16)10(15)3-4-13(11)2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyCYTVDDGVHZFYNY-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one (CID 126731267) is 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one is CC(c1c(O)c(=O)ccn1C)N1CCOCC1.
What is the InChIKey of 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
The InChIKey is CYTVDDGVHZFYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(14-5-7-17-8-6-14)11-12(16)10(15)3-4-13(11)2/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one?
3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one has a molecular weight of 238.29 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-(1-morpholin-4-ylethyl)pyridin-4-one is sourced from PubChem (CID 126731267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).