2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one

C17H30N2O3 — CID 94960593

IUPAC2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1CCCCCO
InChIInChI=1S/C17H30N2O3/c1-3-5-9-18(4-2)13-15-12-16(21)17(22)14-19(15)10-7-6-8-11-20/h12,14,20,22H,3-11,13H2,1-2H3
InChIKeyHJYXQTSVVIVKMQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.34
Rot. Bonds11

About 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one

2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one (PubChem CID 94960593) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one.

Molecular Properties

Compound Name2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
PubChem CID94960593
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
SMILESCCCCN(CC)Cc1cc(=O)c(O)cn1CCCCCO
InChIInChI=1S/C17H30N2O3/c1-3-5-9-18(4-2)13-15-12-16(21)17(22)14-19(15)10-7-6-8-11-20/h12,14,20,22H,3-11,13H2,1-2H3
InChIKeyHJYXQTSVVIVKMQ-UHFFFAOYSA-N
XLogP2.34
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylaminomethyl)-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one
CID 82218694
3-[2-[[butyl(ethyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218711
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(pyridin-4-ylmethyl)pyridin-4-one
CID 94960242
1-[4-(dimethylamino)butyl]-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218872
2-[[1-[3-(diethylamino)propyl]-5-hydroxy-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
CID 82218616
2-(diethylaminomethyl)-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218595
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-6-(hydroxymethyl)-1-methylpyridin-4-one
CID 82217761
2-[[butyl(methyl)amino]methyl]-5-hydroxy-1-(2-methoxyethyl)pyridin-4-one
CID 82218600
2-[[butyl(ethyl)amino]methyl]-1-cycloheptyl-5-hydroxypyridin-4-one
CID 94960137
1-butan-2-yl-2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-hydroxypyridin-4-one
CID 82217968
2-[[butyl(ethyl)amino]methyl]-3-hydroxy-1,6-dimethylpyridin-4-one
CID 82217760

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The IUPAC name of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one (CID 94960593) is 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one.
What is the SMILES notation for 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The canonical SMILES for 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one is CCCCN(CC)Cc1cc(=O)c(O)cn1CCCCCO.
What is the InChIKey of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
The InChIKey is HJYXQTSVVIVKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-5-9-18(4-2)13-15-12-16(21)17(22)14-19(15)10-7-6-8-11-20/h12,14,20,22H,3-11,13H2,1-2H3.
What are the key properties of 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one?
2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one has a molecular weight of 310.44 g/mol, XLogP of 2.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(ethyl)amino]methyl]-5-hydroxy-1-(5-hydroxypentyl)pyridin-4-one is sourced from PubChem (CID 94960593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).