2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one

C13H22N2O3 — CID 82218595

IUPAC2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1CCOC
InChIInChI=1S/C13H22N2O3/c1-4-14(5-2)9-11-8-12(16)13(17)10-15(11)6-7-18-3/h8,10,17H,4-7,9H2,1-3H3
InChIKeyBFRCVOYHCLSBNB-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.04
Rot. Bonds7

About 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one

2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one (PubChem CID 82218595) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
PubChem CID82218595
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
SMILESCCN(CC)Cc1cc(=O)c(O)cn1CCOC
InChIInChI=1S/C13H22N2O3/c1-4-14(5-2)9-11-8-12(16)13(17)10-15(11)6-7-18-3/h8,10,17H,4-7,9H2,1-3H3
InChIKeyBFRCVOYHCLSBNB-UHFFFAOYSA-N
XLogP1.04
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one
CID 82218890
2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218711
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 94960593
2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82218616
2-(diethylaminomethyl)-1-[(2-fluorophenyl)methyl]-5-hydroxypyridin-4-one
CID 82218924
1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218872
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960242
2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
CID 82218421
2-(diethylaminomethyl)-5-hydroxy-1-(2-methylcyclohexyl)pyridin-4-one
CID 82218653

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one?
The IUPAC name of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one (CID 82218595) is 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one.
What is the SMILES notation for 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one?
The canonical SMILES for 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one is CCN(CC)Cc1cc(=O)c(O)cn1CCOC.
What is the InChIKey of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one?
The InChIKey is BFRCVOYHCLSBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-14(5-2)9-11-8-12(16)13(17)10-15(11)6-7-18-3/h8,10,17H,4-7,9H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one?
2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one has a molecular weight of 254.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one is sourced from PubChem (CID 82218595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).