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

C13H11N3O2 — CID 6911445

IUPAC3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)c1cccc(O)c1
InChIInChI=1S/C13H11N3O2/c17-12-3-1-2-11(8-12)13(18)16-15-9-10-4-6-14-7-5-10/h1-9,17H,(H,16,18)/b15-9+
InChIKeyIXTVTACLUJRZRX-OQLLNIDSSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds3

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

3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 6911445) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID6911445
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)c1cccc(O)c1
InChIInChI=1S/C13H11N3O2/c17-12-3-1-2-11(8-12)13(18)16-15-9-10-4-6-14-7-5-10/h1-9,17H,(H,16,18)/b15-9+
InChIKeyIXTVTACLUJRZRX-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

N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 9359955
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135852734
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
N-[(Z)-pyridin-4-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522961
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
3-(dimethylamino)-N-[4-[[(E)-pyridin-4-ylmethylideneamino]carbamoyl]phenyl]benzamide
CID 90642883

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (CID 6911445) is 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccncc1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is IXTVTACLUJRZRX-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-3-1-2-11(8-12)13(18)16-15-9-10-4-6-14-7-5-10/h1-9,17H,(H,16,18)/b15-9+.
What are the key properties of 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
3-hydroxy-N-[(E)-pyridin-4-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 3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 6911445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).