N'-Isonicotinoylbenzohydrazide

C13H11N3O2 — CID 569538

IUPACN'-benzoylpyridine-4-carbohydrazide
SMILESC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2
InChIInChI=1S/C13H11N3O2/c17-12(10-4-2-1-3-5-10)15-16-13(18)11-6-8-14-9-7-11/h1-9H,(H,15,17)(H,16,18)
InChIKeyUHMAPOLDLKSAOI-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.70
Rot. Bonds2

About N'-Isonicotinoylbenzohydrazide

N'-Isonicotinoylbenzohydrazide (PubChem CID 569538) has the molecular formula C13H11N3O2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N'-benzoylpyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-Isonicotinoylbenzohydrazide
PubChem CID569538
Molecular FormulaC13H11N3O2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN'-benzoylpyridine-4-carbohydrazide
SMILESC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2
InChIInChI=1S/C13H11N3O2/c17-12(10-4-2-1-3-5-10)15-16-13(18)11-6-8-14-9-7-11/h1-9H,(H,15,17)(H,16,18)
InChIKeyUHMAPOLDLKSAOI-UHFFFAOYSA-N
XLogP0.70
TPSA71.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity295

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Isoniazid
CID 3767
Nialamide
CID 4472
Iproniazid
CID 3748
Isonicotinamide
CID 15074
Daporinad
CID 6914657
Acetylisoniazid
CID 71602
Iproniazid Phosphate
CID 9367
4-Benzoylpyridine
CID 26731
Enisamium Iodide
CID 10089466
N'-Cyclohexylideneisonicotinohydrazide
CID 27256
Metazide
CID 15568
4-Pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide
CID 203870

Frequently Asked Questions

What is the IUPAC name of N'-Isonicotinoylbenzohydrazide?
The IUPAC name of N'-Isonicotinoylbenzohydrazide (CID 569538) is N'-benzoylpyridine-4-carbohydrazide.
What is the SMILES notation for N'-Isonicotinoylbenzohydrazide?
The canonical SMILES for N'-Isonicotinoylbenzohydrazide is C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=NC=C2.
What is the InChIKey of N'-Isonicotinoylbenzohydrazide?
The InChIKey is UHMAPOLDLKSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12(10-4-2-1-3-5-10)15-16-13(18)11-6-8-14-9-7-11/h1-9H,(H,15,17)(H,16,18).
What are the key properties of N'-Isonicotinoylbenzohydrazide?
N'-Isonicotinoylbenzohydrazide has a molecular weight of 241.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-Isonicotinoylbenzohydrazide is sourced from PubChem (CID 569538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).