5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one

C13H18N2O3 — CID 103696163

IUPAC5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC(C)OC(C)C2)c[nH]1
InChIInChI=1S/C13H18N2O3/c1-8-4-12(16)11(5-14-8)13(17)15-6-9(2)18-10(3)7-15/h4-5,9-10H,6-7H2,1-3H3,(H,14,16)
InChIKeyGJYLCDRUUSIQHL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.93
Rot. Bonds1

About 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one

5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one (PubChem CID 103696163) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
PubChem CID103696163
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC(C)OC(C)C2)c[nH]1
InChIInChI=1S/C13H18N2O3/c1-8-4-12(16)11(5-14-8)13(17)15-6-9(2)18-10(3)7-15/h4-5,9-10H,6-7H2,1-3H3,(H,14,16)
InChIKeyGJYLCDRUUSIQHL-UHFFFAOYSA-N
XLogP0.93
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,6-dimethylmorpholine-4-carbonyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 121025206
5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
2-methyl-5-(4-pyrrolidin-2-ylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103832228
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 27212063

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one (CID 103696163) is 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CC(C)OC(C)C2)c[nH]1.
What is the InChIKey of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one?
The InChIKey is GJYLCDRUUSIQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-4-12(16)11(5-14-8)13(17)15-6-9(2)18-10(3)7-15/h4-5,9-10H,6-7H2,1-3H3,(H,14,16).
What are the key properties of 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one?
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 250.30 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 103696163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).