3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one

C15H18N2O — CID 63172665

IUPAC3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one
SMILESCc1ccc(NCCn2cccc(C)c2=O)cc1
InChIInChI=1S/C15H18N2O/c1-12-5-7-14(8-6-12)16-9-11-17-10-3-4-13(2)15(17)18/h3-8,10,16H,9,11H2,1-2H3
InChIKeyLLMOWYNIDPRUIB-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.58
Rot. Bonds4

About 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one

3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one (PubChem CID 63172665) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one
PubChem CID63172665
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one
SMILESCc1ccc(NCCn2cccc(C)c2=O)cc1
InChIInChI=1S/C15H18N2O/c1-12-5-7-14(8-6-12)16-9-11-17-10-3-4-13(2)15(17)18/h3-8,10,16H,9,11H2,1-2H3
InChIKeyLLMOWYNIDPRUIB-UHFFFAOYSA-N
XLogP2.58
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one (CID 63172665) is 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one is Cc1ccc(NCCn2cccc(C)c2=O)cc1.
What is the InChIKey of 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one?
The InChIKey is LLMOWYNIDPRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-5-7-14(8-6-12)16-9-11-17-10-3-4-13(2)15(17)18/h3-8,10,16H,9,11H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one?
3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one is sourced from PubChem (CID 63172665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).