4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

C13H11N3O2 — CID 6862721

IUPAC4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C13H11N3O2/c17-12-5-3-11(4-6-12)13(18)16-15-9-10-2-1-7-14-8-10/h1-9,17H,(H,16,18)/b15-9+
InChIKeyONZXDTREJDWPHF-OQLLNIDSSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds3

About 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 6862721) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID6862721
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccnc1)c1ccc(O)cc1
InChIInChI=1S/C13H11N3O2/c17-12-5-3-11(4-6-12)13(18)16-15-9-10-2-1-7-14-8-10/h1-9,17H,(H,16,18)/b15-9+
InChIKeyONZXDTREJDWPHF-OQLLNIDSSA-N
XLogP1.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.55
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

CID 135400471
CID 135400471
CID 135400282
CID 135400282
CID 135400298
CID 135400298
CID 135400468
CID 135400468
CID 5920835
CID 5920835
CID 5390727
CID 5390727
CID 10323
CID 10323
CID 5356048
CID 5356048
CID 9615897
CID 9615897
CID 135458873
CID 135458873
CID 135408522
CID 135408522
CID 5351737
CID 5351737

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (CID 6862721) is 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccnc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is ONZXDTREJDWPHF-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-5-3-11(4-6-12)13(18)16-15-9-10-2-1-7-14-8-10/h1-9,17H,(H,16,18)/b15-9+.
What are the key properties of 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 241.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 6862721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).