3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one

C17H22N2O2 — CID 82467100

IUPAC3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCCOc1ccc(-c2ccc(N)c(=O)n2CC(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-4-21-14-7-5-13(6-8-14)16-10-9-15(18)17(20)19(16)11-12(2)3/h5-10,12H,4,11,18H2,1-3H3
InChIKeyQRJRBBINIJKSJF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.15
Rot. Bonds5

About 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one

3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82467100) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
PubChem CID82467100
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
SMILESCCOc1ccc(-c2ccc(N)c(=O)n2CC(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-4-21-14-7-5-13(6-8-14)16-10-9-15(18)17(20)19(16)11-12(2)3/h5-10,12H,4,11,18H2,1-3H3
InChIKeyQRJRBBINIJKSJF-UHFFFAOYSA-N
XLogP3.15
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-methylpropyl)-6-(3-propoxyphenyl)pyridin-2-one
CID 82467070
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
3-(1-aminoethyl)-6-(4-ethoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82517914
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one
CID 82466944
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-(2-methylpropyl)pyridin-2-one
CID 82519259
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919
1-ethyl-6-[4-(2-methylpropoxy)phenyl]-2-oxopyridine-3-carbaldehyde
CID 82517740
6-(4-ethoxyphenyl)-1-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82517956

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one (CID 82467100) is 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one is CCOc1ccc(-c2ccc(N)c(=O)n2CC(C)C)cc1.
What is the InChIKey of 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is QRJRBBINIJKSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-21-14-7-5-13(6-8-14)16-10-9-15(18)17(20)19(16)11-12(2)3/h5-10,12H,4,11,18H2,1-3H3.
What are the key properties of 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one?
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82467100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).