2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one

C15H26N2O3 — CID 82217105

IUPAC2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
SMILESCCN(CC)Cc1c(O)c(=O)cc(C)n1CCCOC
InChIInChI=1S/C15H26N2O3/c1-5-16(6-2)11-13-15(19)14(18)10-12(3)17(13)8-7-9-20-4/h10,19H,5-9,11H2,1-4H3
InChIKeyAKPOEJTXXKYAMM-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.74
Rot. Bonds8

About 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one

2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one (PubChem CID 82217105) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
PubChem CID82217105
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
SMILESCCN(CC)Cc1c(O)c(=O)cc(C)n1CCCOC
InChIInChI=1S/C15H26N2O3/c1-5-16(6-2)11-13-15(19)14(18)10-12(3)17(13)8-7-9-20-4/h10,19H,5-9,11H2,1-4H3
InChIKeyAKPOEJTXXKYAMM-UHFFFAOYSA-N
XLogP1.74
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one (CID 82217105) is 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one is CCN(CC)Cc1c(O)c(=O)cc(C)n1CCCOC.
What is the InChIKey of 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The InChIKey is AKPOEJTXXKYAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-16(6-2)11-13-15(19)14(18)10-12(3)17(13)8-7-9-20-4/h10,19H,5-9,11H2,1-4H3.
What are the key properties of 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one has a molecular weight of 282.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one is sourced from PubChem (CID 82217105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).