N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide

C20H17N3O2 — CID 155529262

IUPACN'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(/C=C/c2ccc(O)c(-c3ccccn3)c2)c1
InChIInChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)7-8-15-9-10-19(24)17(13-15)18-6-1-2-11-22-18/h1-13,24-25H,(H2,21,23)/b8-7+
InChIKeyLBVYWOXEMKKJMA-BQYQJAHWSA-N
MW331.38 g/mol
LogP3.72
Rot. Bonds4

About N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide

N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide (PubChem CID 155529262) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide
PubChem CID155529262
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(/C=C/c2ccc(O)c(-c3ccccn3)c2)c1
InChIInChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)7-8-15-9-10-19(24)17(13-15)18-6-1-2-11-22-18/h1-13,24-25H,(H2,21,23)/b8-7+
InChIKeyLBVYWOXEMKKJMA-BQYQJAHWSA-N
XLogP3.72
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide (CID 155529262) is N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide is N/C(=N\O)c1cccc(/C=C/c2ccc(O)c(-c3ccccn3)c2)c1.
What is the InChIKey of N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide?
The InChIKey is LBVYWOXEMKKJMA-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H17N3O2/c21-20(23-25)16-5-3-4-14(12-16)7-8-15-9-10-19(24)17(13-15)18-6-1-2-11-22-18/h1-13,24-25H,(H2,21,23)/b8-7+.
What are the key properties of N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide?
N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)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-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide is sourced from PubChem (CID 155529262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).