3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one

C16H20N2O — CID 82520127

IUPAC3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(C(C)N)c(=O)n2C)cc1C
InChIInChI=1S/C16H20N2O/c1-10-5-6-13(9-11(10)2)15-8-7-14(12(3)17)16(19)18(15)4/h5-9,12H,17H2,1-4H3
InChIKeyAIMWTNKJECJMHX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.69
Rot. Bonds2

About 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one

3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (PubChem CID 82520127) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
PubChem CID82520127
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
SMILESCc1ccc(-c2ccc(C(C)N)c(=O)n2C)cc1C
InChIInChI=1S/C16H20N2O/c1-10-5-6-13(9-11(10)2)15-8-7-14(12(3)17)16(19)18(15)4/h5-9,12H,17H2,1-4H3
InChIKeyAIMWTNKJECJMHX-UHFFFAOYSA-N
XLogP2.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one (CID 82520127) is 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is Cc1ccc(-c2ccc(C(C)N)c(=O)n2C)cc1C.
What is the InChIKey of 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
The InChIKey is AIMWTNKJECJMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-5-6-13(9-11(10)2)15-8-7-14(12(3)17)16(19)18(15)4/h5-9,12H,17H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one?
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 82520127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).