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

C19H15N3O2 — CID 6263609

IUPAC2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccccc1O
InChIInChI=1S/C19H15N3O2/c23-17-11-5-4-10-16(17)19(24)22-21-18(14-7-2-1-3-8-14)15-9-6-12-20-13-15/h1-13,23H,(H,22,24)/b21-18+
InChIKeyQXYFBPXFXFJUJS-DYTRJAOYSA-N
MW317.35 g/mol
LogP2.97
Rot. Bonds4

About 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide

2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide (PubChem CID 6263609) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
PubChem CID6263609
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccccc1O
InChIInChI=1S/C19H15N3O2/c23-17-11-5-4-10-16(17)19(24)22-21-18(14-7-2-1-3-8-14)15-9-6-12-20-13-15/h1-13,23H,(H,22,24)/b21-18+
InChIKeyQXYFBPXFXFJUJS-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 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide (CID 6263609) is 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide is O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The InChIKey is QXYFBPXFXFJUJS-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-17-11-5-4-10-16(17)19(24)22-21-18(14-7-2-1-3-8-14)15-9-6-12-20-13-15/h1-13,23H,(H,22,24)/b21-18+.
What are the key properties of 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
2-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 2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide is sourced from PubChem (CID 6263609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).