1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one

C16H26N2O4 — CID 94959200

IUPAC1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCCOCCCn1c(C)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C16H26N2O4/c1-3-21-8-4-5-18-13(2)11-15(19)16(20)14(18)12-17-6-9-22-10-7-17/h11,20H,3-10,12H2,1-2H3
InChIKeyHENLCDWBCKAQSV-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.12
Rot. Bonds7

About 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one

1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one (PubChem CID 94959200) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
PubChem CID94959200
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one
SMILESCCOCCCn1c(C)cc(=O)c(O)c1CN1CCOCC1
InChIInChI=1S/C16H26N2O4/c1-3-21-8-4-5-18-13(2)11-15(19)16(20)14(18)12-17-6-9-22-10-7-17/h11,20H,3-10,12H2,1-2H3
InChIKeyHENLCDWBCKAQSV-UHFFFAOYSA-N
XLogP1.12
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82218677
3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94959152
3-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217153
3-hydroxy-1-(2-hydroxyethyl)-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217178
3-hydroxy-6-(hydroxymethyl)-1-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one;dihydrochloride
CID 24881388
3-hydroxy-6-methyl-1-(2-phenylethyl)-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959025
4-(4-ethoxybutyl)morpholine
CID 10726253
1-butan-2-yl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217135
1-butyl-3-hydroxy-6-(hydroxymethyl)-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82217385
1-cyclopropyl-3-hydroxy-6-(hydroxymethyl)-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 82217889
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 71701467
1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one
CID 14956307

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The IUPAC name of 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one (CID 94959200) is 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one is CCOCCCn1c(C)cc(=O)c(O)c1CN1CCOCC1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
The InChIKey is HENLCDWBCKAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-3-21-8-4-5-18-13(2)11-15(19)16(20)14(18)12-17-6-9-22-10-7-17/h11,20H,3-10,12H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one?
1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one has a molecular weight of 310.39 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 94959200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).