1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide

C17H21N3O2 — CID 82518678

IUPAC1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2OC(C)C)n(CC)c1=O
InChIInChI=1S/C17H21N3O2/c1-4-20-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-11(2)3/h5-11H,4H2,1-3H3,(H3,18,19)
InChIKeyMWMLDXMJXUVPPZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.61
Rot. Bonds5

About 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide

1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide (PubChem CID 82518678) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
PubChem CID82518678
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccccc2OC(C)C)n(CC)c1=O
InChIInChI=1S/C17H21N3O2/c1-4-20-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-11(2)3/h5-11H,4H2,1-3H3,(H3,18,19)
InChIKeyMWMLDXMJXUVPPZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518694
3-(1-aminoethyl)-1-ethyl-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518673
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518736
3-amino-1-(2-methylpropyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82467015
2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
CID 82524435
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide
CID 82445083
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
The IUPAC name of 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide (CID 82518678) is 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccccc2OC(C)C)n(CC)c1=O.
What is the InChIKey of 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
The InChIKey is MWMLDXMJXUVPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-20-14(10-9-13(16(18)19)17(20)21)12-7-5-6-8-15(12)22-11(2)3/h5-11H,4H2,1-3H3,(H3,18,19).
What are the key properties of 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide?
1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide has a molecular weight of 299.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 82518678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).