3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one

C14H24N2O5 — CID 82217109

IUPAC3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
SMILESCOCCCn1c(CO)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O5/c1-15(5-6-17)9-12-14(20)13(19)8-11(10-18)16(12)4-3-7-21-2/h8,17-18,20H,3-7,9-10H2,1-2H3
InChIKeyIISUWBVUXJYSJT-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.49
Rot. Bonds9

About 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one

3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one (PubChem CID 82217109) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
PubChem CID82217109
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one
SMILESCOCCCn1c(CO)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O5/c1-15(5-6-17)9-12-14(20)13(19)8-11(10-18)16(12)4-3-7-21-2/h8,17-18,20H,3-7,9-10H2,1-2H3
InChIKeyIISUWBVUXJYSJT-UHFFFAOYSA-N
XLogP-0.49
TPSA95.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-2-(hydroxymethyl)-1,6-dimethylpyridin-4-one
CID 18428303
1-Ethyl-3-hydroxy-2-(hydroxymethyl)-6-methylpyridin-4-one
CID 23378015
3-Hydroxy-2-(1-hydroxyethyl)-1,6-dimethylpyridin-4(1H)-one
CID 23378020
3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 10933991
3-Hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 24881389
2-[(Dimethylamino)methyl]-3-hydroxy-1-methyl-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 49869890
6-[(Dimethylamino)methyl]-3-hydroxy-1-methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 70895939
2-[(Dimethylamino)methyl]-3-hydroxy-1-iodo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
CID 90346849
1-[2-(Dimethylamino)ethyl]-2-(hydroxymethyl)-5-methoxypyridin-4-one
CID 134987125
3-Hydroxy-2,6-bis(hydroxymethyl)-1-methylpyridin-4-one
CID 23378021
2-Ethyl-3-hydroxy-6-(1-hydroxyethyl)-1-methylpyridin-4-one
CID 68223769
1-Ethyl-2-hydroxymethyl-3-hydroxy-6-methyl-pyridin-4(1H)-one hydrochloride
CID 69955090

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one?
The IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one (CID 82217109) is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one is COCCCn1c(CO)cc(=O)c(O)c1CN(C)CCO.
What is the InChIKey of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one?
The InChIKey is IISUWBVUXJYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-15(5-6-17)9-12-14(20)13(19)8-11(10-18)16(12)4-3-7-21-2/h8,17-18,20H,3-7,9-10H2,1-2H3.
What are the key properties of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one?
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one has a molecular weight of 300.36 g/mol, XLogP of -0.49, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-(hydroxymethyl)-1-(3-methoxypropyl)pyridin-4-one is sourced from PubChem (CID 82217109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).