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

C16H15BrN4O3 — CID 4789969

IUPAC4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C16H15BrN4O3/c17-12-6-4-11(5-7-12)15(23)19-10-8-14(22)20-21-16(24)13-3-1-2-9-18-13/h1-7,9H,8,10H2,(H,19,23)(H,20,22)(H,21,24)
InChIKeyCHGHRHALXSOUHR-UHFFFAOYSA-N
MW391.23 g/mol
LogP1.43
Rot. Bonds5

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

4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide (PubChem CID 4789969) has the molecular formula C16H15BrN4O3 and a molecular weight of 391.23 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide
PubChem CID4789969
Molecular FormulaC16H15BrN4O3
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC Name4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccn1
InChIInChI=1S/C16H15BrN4O3/c17-12-6-4-11(5-7-12)15(23)19-10-8-14(22)20-21-16(24)13-3-1-2-9-18-13/h1-7,9H,8,10H2,(H,19,23)(H,20,22)(H,21,24)
InChIKeyCHGHRHALXSOUHR-UHFFFAOYSA-N
XLogP1.43
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 51.43
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

N'-[1-(4-bromophenyl)ethenyl]pyridine-2-carbohydrazide
CID 3448394
4-bromo-N-[3-oxo-3-[2-(2-phenylacetyl)hydrazinyl]propyl]benzamide
CID 24637598
N'-pentanoylpyridine-2-carbohydrazide
CID 29259706
N-[2-oxo-2-[2-(pyridine-2-carbonyl)hydrazinyl]ethyl]-4-phenoxybenzamide
CID 9333080
N'-[3-(2-hydroxyphenyl)propanoyl]pyridine-2-carbohydrazide
CID 27662045
4-bromo-N-(chloromethyl)benzamide
CID 29079018
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N'-(pyridine-4-carbonyl)pyridine-2-carbohydrazide
CID 3977689
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide (CID 4789969) is 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccn1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide?
The InChIKey is CHGHRHALXSOUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3/c17-12-6-4-11(5-7-12)15(23)19-10-8-14(22)20-21-16(24)13-3-1-2-9-18-13/h1-7,9H,8,10H2,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide?
4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide has a molecular weight of 391.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]benzamide is sourced from PubChem (CID 4789969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).