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

C15H26N2O4 — CID 82217104

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
SMILESCCN(CCO)Cc1c(O)c(=O)cc(C)n1CCCOC
InChIInChI=1S/C15H26N2O4/c1-4-16(7-8-18)11-13-15(20)14(19)10-12(2)17(13)6-5-9-21-3/h10,18,20H,4-9,11H2,1-3H3
InChIKeyMNQGZMJTUBBXNR-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.71
Rot. Bonds9

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

2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one (PubChem CID 82217104) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
PubChem CID82217104
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one
SMILESCCN(CCO)Cc1c(O)c(=O)cc(C)n1CCCOC
InChIInChI=1S/C15H26N2O4/c1-4-16(7-8-18)11-13-15(20)14(19)10-12(2)17(13)6-5-9-21-3/h10,18,20H,4-9,11H2,1-3H3
InChIKeyMNQGZMJTUBBXNR-UHFFFAOYSA-N
XLogP0.71
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.71
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 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one (CID 82217104) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one is CCN(CCO)Cc1c(O)c(=O)cc(C)n1CCCOC.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
The InChIKey is MNQGZMJTUBBXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-16(7-8-18)11-13-15(20)14(19)10-12(2)17(13)6-5-9-21-3/h10,18,20H,4-9,11H2,1-3H3.
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one has a molecular weight of 298.38 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3-hydroxy-1-(3-methoxypropyl)-6-methylpyridin-4-one is sourced from PubChem (CID 82217104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).