2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

C17H19N3O2 — CID 25237298

IUPAC2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESCCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-16-8-6-14(7-9-16)11-17(21)20-19-13(2)15-5-4-10-18-12-15/h4-10,12H,3,11H2,1-2H3,(H,20,21)/b19-13+
InChIKeyISUFFHRIZQUVKB-CPNJWEJPSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds6

About 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide

2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (PubChem CID 25237298) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
PubChem CID25237298
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
SMILESCCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-16-8-6-14(7-9-16)11-17(21)20-19-13(2)15-5-4-10-18-12-15/h4-10,12H,3,11H2,1-2H3,(H,20,21)/b19-13+
InChIKeyISUFFHRIZQUVKB-CPNJWEJPSA-N
XLogP2.56
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide (CID 25237298) is 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is CCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
The InChIKey is ISUFFHRIZQUVKB-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-16-8-6-14(7-9-16)11-17(21)20-19-13(2)15-5-4-10-18-12-15/h4-10,12H,3,11H2,1-2H3,(H,20,21)/b19-13+.
What are the key properties of 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide?
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide is sourced from PubChem (CID 25237298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).