1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one

C15H18N2O — CID 62880332

IUPAC1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one
SMILESCNC(Cn1ccc(=O)cc1)c1ccccc1C
InChIInChI=1S/C15H18N2O/c1-12-5-3-4-6-14(12)15(16-2)11-17-9-7-13(18)8-10-17/h3-10,15-16H,11H2,1-2H3
InChIKeyCNWGQJNCUFGWEP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one

1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one (PubChem CID 62880332) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one
PubChem CID62880332
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one
SMILESCNC(Cn1ccc(=O)cc1)c1ccccc1C
InChIInChI=1S/C15H18N2O/c1-12-5-3-4-6-14(12)15(16-2)11-17-9-7-13(18)8-10-17/h3-10,15-16H,11H2,1-2H3
InChIKeyCNWGQJNCUFGWEP-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one (CID 62880332) is 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one is CNC(Cn1ccc(=O)cc1)c1ccccc1C.
What is the InChIKey of 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one?
The InChIKey is CNWGQJNCUFGWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-5-3-4-6-14(12)15(16-2)11-17-9-7-13(18)8-10-17/h3-10,15-16H,11H2,1-2H3.
What are the key properties of 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one?
1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one has a molecular weight of 242.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-2-(2-methylphenyl)ethyl]pyridin-4-one is sourced from PubChem (CID 62880332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).