3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one

C18H24N2O — CID 82519908

IUPAC3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2cc(C)ccc2C)ccc(C(C)(C)N)c1=O
InChIInChI=1S/C18H24N2O/c1-6-20-16(14-11-12(2)7-8-13(14)3)10-9-15(17(20)21)18(4,5)19/h7-11H,6,19H2,1-5H3
InChIKeyWCHKTHNFULQZHL-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.35
Rot. Bonds3

About 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one

3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one (PubChem CID 82519908) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one
PubChem CID82519908
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2cc(C)ccc2C)ccc(C(C)(C)N)c1=O
InChIInChI=1S/C18H24N2O/c1-6-20-16(14-11-12(2)7-8-13(14)3)10-9-15(17(20)21)18(4,5)19/h7-11H,6,19H2,1-5H3
InChIKeyWCHKTHNFULQZHL-UHFFFAOYSA-N
XLogP3.35
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,5-dimethylphenyl)-3-(2-hydroxypropan-2-yl)-1-propylpyridin-2-one
CID 82519868
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
3-amino-1-ethyl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82467176
1-butyl-3-(chloromethyl)-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82519834
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-propylpyridin-2-one
CID 82519877
2-[6-(2,5-dimethylphenyl)-2-methyl-3-pyridinyl]propan-2-amine
CID 82452654
1-butyl-6-(2,5-dimethylphenyl)-2-oxopyridine-3-carbonitrile
CID 82519838
2-[6-(2,5-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82519871
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
CID 82189637
6-(2,5-dimethylphenyl)-3-(methylaminomethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519825
1-butan-2-yl-6-(2,5-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82519817

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one?
The IUPAC name of 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one (CID 82519908) is 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one?
The canonical SMILES for 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one is CCn1c(-c2cc(C)ccc2C)ccc(C(C)(C)N)c1=O.
What is the InChIKey of 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one?
The InChIKey is WCHKTHNFULQZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-6-20-16(14-11-12(2)7-8-13(14)3)10-9-15(17(20)21)18(4,5)19/h7-11H,6,19H2,1-5H3.
What are the key properties of 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one?
3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one has a molecular weight of 284.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-6-(2,5-dimethylphenyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 82519908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).