2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one

C16H29N3O4 — CID 82218890

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one
SMILESCOCCN(CCOC)Cc1cc(=O)c(O)cn1CCN(C)C
InChIInChI=1S/C16H29N3O4/c1-17(2)5-6-19-13-16(21)15(20)11-14(19)12-18(7-9-22-3)8-10-23-4/h11,13,21H,5-10,12H2,1-4H3
InChIKeyOWRNJLWMPSOBDK-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.21
Rot. Bonds11

About 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one

2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one (PubChem CID 82218890) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one
PubChem CID82218890
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one
SMILESCOCCN(CCOC)Cc1cc(=O)c(O)cn1CCN(C)C
InChIInChI=1S/C16H29N3O4/c1-17(2)5-6-19-13-16(21)15(20)11-14(19)12-18(7-9-22-3)8-10-23-4/h11,13,21H,5-10,12H2,1-4H3
InChIKeyOWRNJLWMPSOBDK-UHFFFAOYSA-N
XLogP0.21
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218595
1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218872
2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
2-[[bis(2-methoxyethyl)amino]methyl]-1-cyclopentyl-5-hydroxypyridin-4-one
CID 82218421
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
1-[2-(dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
CID 134987125
2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218887
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

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one (CID 82218890) is 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one is COCCN(CCOC)Cc1cc(=O)c(O)cn1CCN(C)C.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one?
The InChIKey is OWRNJLWMPSOBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-17(2)5-6-19-13-16(21)15(20)11-14(19)12-18(7-9-22-3)8-10-23-4/h11,13,21H,5-10,12H2,1-4H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one?
2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one has a molecular weight of 327.43 g/mol, XLogP of 0.21, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).