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

C19H15N3O2 — CID 5058601

IUPAC4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(NN=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)
InChIKeyJQOWUPBSNGBIBI-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.97
Rot. Bonds4

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

4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide (PubChem CID 5058601) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
PubChem CID5058601
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
SMILESO=C(NN=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)
InChIKeyJQOWUPBSNGBIBI-UHFFFAOYSA-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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Related Compounds

4-bromo-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 4524840
2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 6263609
N-[(Z)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-4-hydroxybenzamide
CID 5438344
3-methyl-4-nitro-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 3726967
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
CID 40573364
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(Z)-[amino-[2-(pyridine-3-carbonyl)hydrazinyl]methylidene]amino]pyridine-3-carboxamide;trihydrochloride
CID 129009269
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
5-ethyl-N-[(E)-[(4-hydroxyphenyl)-phenylmethylidene]amino]thiophene-3-carboxamide
CID 135647739
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The IUPAC name of 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide (CID 5058601) is 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The canonical SMILES for 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide is O=C(NN=C(c1ccccc1)c1cccnc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
The InChIKey is JQOWUPBSNGBIBI-UHFFFAOYSA-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).
What are the key properties of 4-hydroxy-N-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide?
4-hydroxy-N-[[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-[[phenyl(pyridin-3-yl)methylidene]amino]benzamide is sourced from PubChem (CID 5058601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).