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

C14H24N2O4 — CID 82217108

IUPAC3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one
SMILESCOCCCn1c(C)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O4/c1-11-9-13(18)14(19)12(10-15(2)6-7-17)16(11)5-4-8-20-3/h9,17,19H,4-8,10H2,1-3H3
InChIKeyGCMPTURVAGHYDT-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.32
Rot. Bonds8

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

3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one (PubChem CID 82217108) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one
PubChem CID82217108
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one
SMILESCOCCCn1c(C)cc(=O)c(O)c1CN(C)CCO
InChIInChI=1S/C14H24N2O4/c1-11-9-13(18)14(19)12(10-15(2)6-7-17)16(11)5-4-8-20-3/h9,17,19H,4-8,10H2,1-3H3
InChIKeyGCMPTURVAGHYDT-UHFFFAOYSA-N
XLogP0.32
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one (CID 82217108) is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one is COCCCn1c(C)cc(=O)c(O)c1CN(C)CCO.
What is the InChIKey of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The InChIKey is GCMPTURVAGHYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11-9-13(18)14(19)12(10-15(2)6-7-17)16(11)5-4-8-20-3/h9,17,19H,4-8,10H2,1-3H3.
What are the key properties of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one?
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one has a molecular weight of 284.36 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(3-methoxypropyl)-6-methylpyridin-4-one is sourced from PubChem (CID 82217108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).