N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide

C19H14BrN3O2 — CID 58858311

IUPACN'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2cccnc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O2/c20-17-9-7-15(8-10-17)19(25)23-22-18(24)14-5-3-13(4-6-14)16-2-1-11-21-12-16/h1-12H,(H,22,24)(H,23,25)
InChIKeyBKXONBWGGQLWKO-UHFFFAOYSA-N
MW396.24 g/mol
LogP3.59
Rot. Bonds3

About N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide

N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide (PubChem CID 58858311) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
PubChem CID58858311
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC NameN'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2cccnc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C19H14BrN3O2/c20-17-9-7-15(8-10-17)19(25)23-22-18(24)14-5-3-13(4-6-14)16-2-1-11-21-12-16/h1-12H,(H,22,24)(H,23,25)
InChIKeyBKXONBWGGQLWKO-UHFFFAOYSA-N
XLogP3.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 53.59
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

4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858349
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
N-hydroxy-5-(4-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 89034600
3-oxo-3-(4-pyridin-3-ylphenyl)propanoic acid
CID 170887253
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 146021058
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide (CID 58858311) is N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide is O=C(NNC(=O)c1ccc(-c2cccnc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide?
The InChIKey is BKXONBWGGQLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c20-17-9-7-15(8-10-17)19(25)23-22-18(24)14-5-3-13(4-6-14)16-2-1-11-21-12-16/h1-12H,(H,22,24)(H,23,25).
What are the key properties of N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide?
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide has a molecular weight of 396.24 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide is sourced from PubChem (CID 58858311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).