4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide

C15H13BrN4O3 — CID 35151089

IUPAC4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccnc1
InChIInChI=1S/C15H13BrN4O3/c16-12-5-3-10(4-6-12)14(22)18-9-13(21)19-20-15(23)11-2-1-7-17-8-11/h1-8H,9H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyXUORFWMJBUNCPU-UHFFFAOYSA-N
MW377.20 g/mol
LogP1.04
Rot. Bonds4

About 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide

4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide (PubChem CID 35151089) has the molecular formula C15H13BrN4O3 and a molecular weight of 377.20 g/mol. Its IUPAC name is 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
PubChem CID35151089
Molecular FormulaC15H13BrN4O3
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC Name4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccnc1
InChIInChI=1S/C15H13BrN4O3/c16-12-5-3-10(4-6-12)14(22)18-9-13(21)19-20-15(23)11-2-1-7-17-8-11/h1-8H,9H2,(H,18,22)(H,19,21)(H,20,23)
InChIKeyXUORFWMJBUNCPU-UHFFFAOYSA-N
XLogP1.04
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 51163103
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 32688575
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-[2-(4-bromophenyl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110291647
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
2-(1-adamantyl)-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]acetamide
CID 35151780
N'-[2-(2-methylphenyl)acetyl]pyridine-3-carbohydrazide
CID 35152193
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide (CID 35151089) is 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide is O=C(CNC(=O)c1ccc(Br)cc1)NNC(=O)c1cccnc1.
What is the InChIKey of 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide?
The InChIKey is XUORFWMJBUNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O3/c16-12-5-3-10(4-6-12)14(22)18-9-13(21)19-20-15(23)11-2-1-7-17-8-11/h1-8H,9H2,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide?
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide has a molecular weight of 377.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 35151089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).