2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one

C15H18N2O3 — CID 82063932

IUPAC2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
SMILESCc1cccc(OCCOc2c[nH]c(CN)cc2=O)c1
InChIInChI=1S/C15H18N2O3/c1-11-3-2-4-13(7-11)19-5-6-20-15-10-17-12(9-16)8-14(15)18/h2-4,7-8,10H,5-6,9,16H2,1H3,(H,17,18)
InChIKeyWLEQDWSYLQPULJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds6

About 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one

2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one (PubChem CID 82063932) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
PubChem CID82063932
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
SMILESCc1cccc(OCCOc2c[nH]c(CN)cc2=O)c1
InChIInChI=1S/C15H18N2O3/c1-11-3-2-4-13(7-11)19-5-6-20-15-10-17-12(9-16)8-14(15)18/h2-4,7-8,10H,5-6,9,16H2,1H3,(H,17,18)
InChIKeyWLEQDWSYLQPULJ-UHFFFAOYSA-N
XLogP1.60
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one
CID 82063884
2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]pyran-4-one
CID 82064033
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
[8-[2-(3-methylphenoxy)ethoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82056333
2,5-diamino-4-[2-(3-methylphenoxy)ethoxy]phenol
CID 91322801
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
CID 170739298
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
2-methyl-3-[2-(3-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66224960
1-[2-(3-methylphenoxy)ethoxy]-2-nitrobenzene
CID 112781476

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one (CID 82063932) is 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one is Cc1cccc(OCCOc2c[nH]c(CN)cc2=O)c1.
What is the InChIKey of 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
The InChIKey is WLEQDWSYLQPULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-3-2-4-13(7-11)19-5-6-20-15-10-17-12(9-16)8-14(15)18/h2-4,7-8,10H,5-6,9,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one?
2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one has a molecular weight of 274.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-[2-(3-methylphenoxy)ethoxy]-1H-pyridin-4-one is sourced from PubChem (CID 82063932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).