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

C16H20N2O — CID 82189019

IUPAC3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one
SMILESCc1ccc(-n2c(C(C)C)ccc(CN)c2=O)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)15-9-6-13(10-17)16(19)18(15)14-7-4-12(3)5-8-14/h4-9,11H,10,17H2,1-3H3
InChIKeyQVHWYCZHCMWTMQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds3

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

3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one (PubChem CID 82189019) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one
PubChem CID82189019
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one
SMILESCc1ccc(-n2c(C(C)C)ccc(CN)c2=O)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)15-9-6-13(10-17)16(19)18(15)14-7-4-12(3)5-8-14/h4-9,11H,10,17H2,1-3H3
InChIKeyQVHWYCZHCMWTMQ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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
3-(aminomethyl)-6-ethyl-1-phenylpyridin-2-one
CID 105485857
1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
1-(4-fluorophenyl)-3-isocyano-6-propan-2-ylpyridin-2-one
CID 58158562
3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 105494006
5-(aminomethyl)-1-(4-methylphenyl)pyrimidin-4-one
CID 115114513
6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22949757
3-(bromomethyl)-1-butan-2-yl-6-propan-2-ylpyridin-2-one
CID 82524259
3-(aminomethyl)-1-butan-2-yl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82517397
2-[3-methyl-4-(4-methylphenyl)-5-oxo-1,2,4-triazol-1-yl]propanoic acid
CID 3740433
3-(aminomethyl)-1-cyclobutyl-6-methylpyridin-2-one
CID 105446451

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one (CID 82189019) is 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one is Cc1ccc(-n2c(C(C)C)ccc(CN)c2=O)cc1.
What is the InChIKey of 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one?
The InChIKey is QVHWYCZHCMWTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)15-9-6-13(10-17)16(19)18(15)14-7-4-12(3)5-8-14/h4-9,11H,10,17H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one?
3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82189019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).