4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide

C21H19N3O2 — CID 5411787

IUPAC4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-26-18-13-11-17(12-14-18)21(25)24-23-20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15H,2H2,1H3,(H,24,25)/b23-20+
InChIKeyLWMUYQDLZDEWKY-BSYVCWPDSA-N
MW345.40 g/mol
LogP3.66
Rot. Bonds6

About 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide

4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide (PubChem CID 5411787) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
PubChem CID5411787
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
SMILESCCOc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-26-18-13-11-17(12-14-18)21(25)24-23-20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15H,2H2,1H3,(H,24,25)/b23-20+
InChIKeyLWMUYQDLZDEWKY-BSYVCWPDSA-N
XLogP3.66
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.66
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 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The IUPAC name of 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide (CID 5411787) is 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide is CCOc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
The InChIKey is LWMUYQDLZDEWKY-BSYVCWPDSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-26-18-13-11-17(12-14-18)21(25)24-23-20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15H,2H2,1H3,(H,24,25)/b23-20+.
What are the key properties of 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide?
4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide is sourced from PubChem (CID 5411787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).