2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one

C15H18N2O — CID 82419104

IUPAC2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one
SMILESCNCc1cn(-c2ccc(C)cc2)c(C)cc1=O
InChIInChI=1S/C15H18N2O/c1-11-4-6-14(7-5-11)17-10-13(9-16-3)15(18)8-12(17)2/h4-8,10,16H,9H2,1-3H3
InChIKeySVBKZVHTLGAMIR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.17
Rot. Bonds3

About 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one

2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one (PubChem CID 82419104) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one
PubChem CID82419104
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one
SMILESCNCc1cn(-c2ccc(C)cc2)c(C)cc1=O
InChIInChI=1S/C15H18N2O/c1-11-4-6-14(7-5-11)17-10-13(9-16-3)15(18)8-12(17)2/h4-8,10,16H,9H2,1-3H3
InChIKeySVBKZVHTLGAMIR-UHFFFAOYSA-N
XLogP2.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one (CID 82419104) is 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one is CNCc1cn(-c2ccc(C)cc2)c(C)cc1=O.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one?
The InChIKey is SVBKZVHTLGAMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-4-6-14(7-5-11)17-10-13(9-16-3)15(18)8-12(17)2/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one?
2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one has a molecular weight of 242.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one is sourced from PubChem (CID 82419104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).