1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one

C13H22N2O2 — CID 82525650

IUPAC1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1c(C)cc(C)n(CCCOC)c1=O
InChIInChI=1S/C13H22N2O2/c1-10-8-11(2)15(6-5-7-17-4)13(16)12(10)9-14-3/h8,14H,5-7,9H2,1-4H3
InChIKeyWDYKUPHYPQFWRL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.22
Rot. Bonds6

About 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one

1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one (PubChem CID 82525650) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
PubChem CID82525650
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
SMILESCNCc1c(C)cc(C)n(CCCOC)c1=O
InChIInChI=1S/C13H22N2O2/c1-10-8-11(2)15(6-5-7-17-4)13(16)12(10)9-14-3/h8,14H,5-7,9H2,1-4H3
InChIKeyWDYKUPHYPQFWRL-UHFFFAOYSA-N
XLogP1.22
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525694
3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82525616
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
CID 82525687
2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82525680
3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
CID 82525632
3-(ethylaminomethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525846
1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
CID 82525976
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one
CID 23338585
1-(3-hydroxypropyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 3148839
4,6-dimethyl-1-(3-methylbutyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82525790

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one (CID 82525650) is 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one is CNCc1c(C)cc(C)n(CCCOC)c1=O.
What is the InChIKey of 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one?
The InChIKey is WDYKUPHYPQFWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-8-11(2)15(6-5-7-17-4)13(16)12(10)9-14-3/h8,14H,5-7,9H2,1-4H3.
What are the key properties of 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one?
1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82525650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).