5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one

C17H22N2O — CID 82419866

IUPAC5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
SMILESCCc1ccccc1-n1cc(C(C)(C)N)c(=O)cc1C
InChIInChI=1S/C17H22N2O/c1-5-13-8-6-7-9-15(13)19-11-14(17(3,4)18)16(20)10-12(19)2/h6-11H,5,18H2,1-4H3
InChIKeyKOGWEWNQTZTMLM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.90
Rot. Bonds3

About 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one

5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one (PubChem CID 82419866) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
PubChem CID82419866
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
SMILESCCc1ccccc1-n1cc(C(C)(C)N)c(=O)cc1C
InChIInChI=1S/C17H22N2O/c1-5-13-8-6-7-9-15(13)19-11-14(17(3,4)18)16(20)10-12(19)2/h6-11H,5,18H2,1-4H3
InChIKeyKOGWEWNQTZTMLM-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82419865
5-(chloromethyl)-1-(2-ethylphenyl)-2-methylpyridin-4-one
CID 82419859
1-(2-ethylphenyl)-6-methyl-4-oxopyridine-3-carbothioamide
CID 82419857
5-(2-hydroxypropan-2-yl)-2-methyl-1-(2-methylphenyl)pyridin-4-one
CID 82419586
5-(2-aminopropan-2-yl)-1-(3-chloro-4-fluorophenyl)-2-methylpyridin-4-one
CID 82420473
1-(4-ethylphenyl)-5-(2-hydroxypropan-2-yl)-2-methylpyridin-4-one
CID 82421096
5-amino-1-(2-ethoxyphenyl)-2-methylpyridin-4-one
CID 82467325
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
5-amino-1-(2-chlorophenyl)-2-methylpyridin-4-one
CID 82467411
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
6-methyl-1-(2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 82419564
3-(2-aminopropan-2-yl)-6-methyl-1-phenylpyridazin-4-one
CID 82419803

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
The IUPAC name of 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one (CID 82419866) is 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
The canonical SMILES for 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one is CCc1ccccc1-n1cc(C(C)(C)N)c(=O)cc1C.
What is the InChIKey of 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
The InChIKey is KOGWEWNQTZTMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-13-8-6-7-9-15(13)19-11-14(17(3,4)18)16(20)10-12(19)2/h6-11H,5,18H2,1-4H3.
What are the key properties of 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one?
5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one has a molecular weight of 270.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-1-(2-ethylphenyl)-2-methylpyridin-4-one is sourced from PubChem (CID 82419866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).