N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide

C₂₀H₁₇N₃O₂ — CID 155540041

About N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide

N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide (PubChem CID 155540041) has the molecular formula C₂₀H₁₇N₃O₂ and a molecular weight of 331.38 g/mol. Its IUPAC name is N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide.

Molecular Properties

• Compound Name: N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide
• PubChem CID: 155540041
• Molecular Formula: C₂₀H₁₇N₃O₂
• Molecular Weight: 331.38 g/mol
• Exact Mass: 331.13
• IUPAC Name: N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide
• SMILES: N/C(=N\O)c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1
• InChI: InChI=1S/C20H17N3O2/c21-20(23-25)16-9-7-14(8-10-16)5-6-15-11-12-22-18(13-15)17-3-1-2-4-19(17)24/h1-13,24-25H,(H2,21,23)/b6-5+
• InChIKey: VKJPOOXLTWELCD-AATRIKPKSA-N
• XLogP: 3.72
• TPSA: 91.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.38
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide?

The IUPAC name of N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide (CID 155540041) is N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide.

What is the SMILES notation for N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide?

The canonical SMILES for N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide is N/C(=N\O)c1ccc(/C=C/c2ccnc(-c3ccccc3O)c2)cc1.

What is the InChIKey of N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide?

The InChIKey is VKJPOOXLTWELCD-AATRIKPKSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-20(23-25)16-9-7-14(8-10-16)5-6-15-11-12-22-18(13-15)17-3-1-2-4-19(17)24/h1-13,24-25H,(H2,21,23)/b6-5+.

What are the key properties of N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide?

N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide has a molecular weight of 331.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-hydroxy-4-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzenecarboximidamide is sourced from PubChem (CID 155540041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155540041 — identifiers, structure, computed properties (public domain)

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