6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide

C17H21N3O2 — CID 82517919

IUPAC6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(OCC)cc2)n(C(C)C)c1=O
InChIInChI=1S/C17H21N3O2/c1-4-22-13-7-5-12(6-8-13)15-10-9-14(16(18)19)17(21)20(15)11(2)3/h5-11H,4H2,1-3H3,(H3,18,19)
InChIKeyLGMASTZLCSLKCC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.78
Rot. Bonds5

About 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide

6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide (PubChem CID 82517919) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
PubChem CID82517919
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(OCC)cc2)n(C(C)C)c1=O
InChIInChI=1S/C17H21N3O2/c1-4-22-13-7-5-12(6-8-13)15-10-9-14(16(18)19)17(21)20(15)11(2)3/h5-11H,4H2,1-3H3,(H3,18,19)
InChIKeyLGMASTZLCSLKCC-UHFFFAOYSA-N
XLogP2.78
TPSA81.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1-aminoethyl)-6-(4-ethoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82517914
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
CID 82520398
3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518078
1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518678
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82467100
6-(3-ethoxyphenyl)-3-(hydroxymethyl)-1-propan-2-ylpyridin-2-one
CID 82518367
2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
CID 82524435
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
3-(2-aminopropan-2-yl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517946

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide (CID 82517919) is 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(OCC)cc2)n(C(C)C)c1=O.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is LGMASTZLCSLKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-22-13-7-5-12(6-8-13)15-10-9-14(16(18)19)17(21)20(15)11(2)3/h5-11H,4H2,1-3H3,(H3,18,19).
What are the key properties of 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide?
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 299.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 82517919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).