3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one

C17H22N2O — CID 82189342

IUPAC3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(-c2ccc(CN)c(=O)n2C(C)C)cc1C
InChIInChI=1S/C17H22N2O/c1-11(2)19-16(8-7-15(10-18)17(19)20)14-6-5-12(3)13(4)9-14/h5-9,11H,10,18H2,1-4H3
InChIKeyHKOTVWLJSYDACF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.17
Rot. Bonds3

About 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one

3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82189342) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
PubChem CID82189342
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(-c2ccc(CN)c(=O)n2C(C)C)cc1C
InChIInChI=1S/C17H22N2O/c1-11(2)19-16(8-7-15(10-18)17(19)20)14-6-5-12(3)13(4)9-14/h5-9,11H,10,18H2,1-4H3
InChIKeyHKOTVWLJSYDACF-UHFFFAOYSA-N
XLogP3.17
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520018
1-butan-2-yl-6-(3,4-dimethylphenyl)-3-(methylaminomethyl)pyridin-2-one
CID 82520022
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
3-(bromomethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520136
3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 105494006
1-butan-2-yl-3-(hydroxymethyl)-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517277
3-(hydroxymethyl)-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82519719
3-(bromomethyl)-6-phenyl-1-propan-2-ylpyridin-2-one
CID 82521214
3-(1-aminoethyl)-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520127
3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82517397
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
CID 82518367

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one (CID 82189342) is 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one is Cc1ccc(-c2ccc(CN)c(=O)n2C(C)C)cc1C.
What is the InChIKey of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is HKOTVWLJSYDACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)19-16(8-7-15(10-18)17(19)20)14-6-5-12(3)13(4)9-14/h5-9,11H,10,18H2,1-4H3.
What are the key properties of 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one?
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82189342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).