4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide

C19H15N3O2 — CID 6260114

IUPAC4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C19H15N3O2/c23-17-10-8-15(9-11-17)19(24)22-21-18(14-5-2-1-3-6-14)16-7-4-12-20-13-16/h1-13,23H,(H,22,24)/b21-18+
InChIKeyJQOWUPBSNGBIBI-DYTRJAOYSA-N
MW317.35 g/mol
LogP2.97
Rot. Bonds4

About 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide

4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide (PubChem CID 6260114) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
PubChem CID6260114
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C19H15N3O2/c23-17-10-8-15(9-11-17)19(24)22-21-18(14-5-2-1-3-6-14)16-7-4-12-20-13-16/h1-13,23H,(H,22,24)/b21-18+
InChIKeyJQOWUPBSNGBIBI-DYTRJAOYSA-N
XLogP2.97
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
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-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide (CID 6260114) is 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide is O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The InChIKey is JQOWUPBSNGBIBI-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-17-10-8-15(9-11-17)19(24)22-21-18(14-5-2-1-3-6-14)16-7-4-12-20-13-16/h1-13,23H,(H,22,24)/b21-18+.
What are the key properties of 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide has a molecular weight of 317.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide is sourced from PubChem (CID 6260114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).