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

C16H20N2O — CID 82189293

IUPAC3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(-c2ccc(CN)c(=O)n2C(C)C)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)18-15(9-8-14(10-17)16(18)19)13-6-4-12(3)5-7-13/h4-9,11H,10,17H2,1-3H3
InChIKeyVOBUIXLJWCCFLU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.86
Rot. Bonds3

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

3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82189293) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
PubChem CID82189293
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
SMILESCc1ccc(-c2ccc(CN)c(=O)n2C(C)C)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)18-15(9-8-14(10-17)16(18)19)13-6-4-12(3)5-7-13/h4-9,11H,10,17H2,1-3H3
InChIKeyVOBUIXLJWCCFLU-UHFFFAOYSA-N
XLogP2.86
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
3-(bromomethyl)-6-phenyl-1-propan-2-ylpyridin-2-one
CID 82521214
3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 105494006
3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one
CID 82189019
3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
CID 82466922
3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82517397
3-(aminomethyl)-1-methyl-6-[4-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82189512
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
CID 82519188
2-(4-methylphenyl)-5-nitro-1-propan-2-ylpyrrole
CID 142784830
3-(hydroxymethyl)-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82519719
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one (CID 82189293) is 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one is Cc1ccc(-c2ccc(CN)c(=O)n2C(C)C)cc1.
What is the InChIKey of 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is VOBUIXLJWCCFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)18-15(9-8-14(10-17)16(18)19)13-6-4-12(3)5-7-13/h4-9,11H,10,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one?
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82189293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).