3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one

C18H24N2O2 — CID 82189716

IUPAC3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCc1cc(-c2ccc(OCC(C)C)cc2)n(C)c(=O)c1CN
InChIInChI=1S/C18H24N2O2/c1-12(2)11-22-15-7-5-14(6-8-15)17-9-13(3)16(10-19)18(21)20(17)4/h5-9,12H,10-11,19H2,1-4H3
InChIKeyLYPUFUDGQMTICE-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.85
Rot. Bonds5

About 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one

3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one (PubChem CID 82189716) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
PubChem CID82189716
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
SMILESCc1cc(-c2ccc(OCC(C)C)cc2)n(C)c(=O)c1CN
InChIInChI=1S/C18H24N2O2/c1-12(2)11-22-15-7-5-14(6-8-15)17-9-13(3)16(10-19)18(21)20(17)4/h5-9,12H,10-11,19H2,1-4H3
InChIKeyLYPUFUDGQMTICE-UHFFFAOYSA-N
XLogP2.85
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-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

3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
1-methyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbonitrile
CID 82517751
3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189589
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
3-(3,4-dimethylanilino)-1-methyl-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110590091
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 82573659
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one (CID 82189716) is 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one is Cc1cc(-c2ccc(OCC(C)C)cc2)n(C)c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
The InChIKey is LYPUFUDGQMTICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)11-22-15-7-5-14(6-8-15)17-9-13(3)16(10-19)18(21)20(17)4/h5-9,12H,10-11,19H2,1-4H3.
What are the key properties of 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one?
3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,4-dimethyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one is sourced from PubChem (CID 82189716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).