1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one

C13H22N2O2 — CID 106159969

IUPAC1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one
SMILESCC(CO)CCCNCCn1ccccc1=O
InChIInChI=1S/C13H22N2O2/c1-12(11-16)5-4-7-14-8-10-15-9-3-2-6-13(15)17/h2-3,6,9,12,14,16H,4-5,7-8,10-11H2,1H3
InChIKeyWEDCRNRJNLLEGV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.85
Rot. Bonds8

About 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one

1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one (PubChem CID 106159969) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one
PubChem CID106159969
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one
SMILESCC(CO)CCCNCCn1ccccc1=O
InChIInChI=1S/C13H22N2O2/c1-12(11-16)5-4-7-14-8-10-15-9-3-2-6-13(15)17/h2-3,6,9,12,14,16H,4-5,7-8,10-11H2,1H3
InChIKeyWEDCRNRJNLLEGV-UHFFFAOYSA-N
XLogP0.85
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[3-(Hydroxymethyl)piperidin-1-YL]ethyl}-3-methylbut-2-enamide
CID 56757691
5-Amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 43590102
5-Amino-1-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]pyridin-2-one
CID 43590103
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 55118673
N-(1-hydroxy-4-methylpentan-2-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 61245485
5-Amino-1-(5-hydroxypentyl)pyridin-2(1h)-one
CID 62228479
3-Amino-1-(5-hydroxypentyl)pyridin-2(1h)-one
CID 62228665
5-Amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62814784
2-(5-amino-2-oxo-1-pyridinyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089168
1-[2-[3-(Hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 78998597
2-(5-amino-2-oxo-1-pyridinyl)-N-(2-ethyl-4-hydroxybutyl)acetamide
CID 80298581
N-(2-ethyl-4-hydroxybutyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 80308018

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one (CID 106159969) is 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one is CC(CO)CCCNCCn1ccccc1=O.
What is the InChIKey of 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one?
The InChIKey is WEDCRNRJNLLEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(11-16)5-4-7-14-8-10-15-9-3-2-6-13(15)17/h2-3,6,9,12,14,16H,4-5,7-8,10-11H2,1H3.
What are the key properties of 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one?
1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 106159969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).