[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea

C15H15BrN6O3 — CID 24638054

IUPAC[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1cnccn1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN6O3/c16-10-3-1-2-9(6-10)11(20-15(17)25)7-13(23)21-22-14(24)12-8-18-4-5-19-12/h1-6,8,11H,7H2,(H,21,23)(H,22,24)(H3,17,20,25)
InChIKeyTWYIDGJAMQESAZ-UHFFFAOYSA-N
MW407.23 g/mol
LogP0.80
Rot. Bonds5

About [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea

[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea (PubChem CID 24638054) has the molecular formula C15H15BrN6O3 and a molecular weight of 407.23 g/mol. Its IUPAC name is [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea.

Molecular Properties

Compound Name[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
PubChem CID24638054
Molecular FormulaC15H15BrN6O3
Molecular Weight407.23 g/mol
Exact Mass406.04
IUPAC Name[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
SMILESNC(=O)NC(CC(=O)NNC(=O)c1cnccn1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN6O3/c16-10-3-1-2-9(6-10)11(20-15(17)25)7-13(23)21-22-14(24)12-8-18-4-5-19-12/h1-6,8,11H,7H2,(H,21,23)(H,22,24)(H3,17,20,25)
InChIKeyTWYIDGJAMQESAZ-UHFFFAOYSA-N
XLogP0.80
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
CID 24643247
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
[(1R)-3-oxo-1-(3-phenoxyphenyl)-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]urea
CID 9333202
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
CID 18207978
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 32710267
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
(3S)-3-(3-bromophenyl)-3-(pyridine-4-carbonylamino)propanoic acid
CID 97324068
N'-(5-bromo-2-chlorobenzoyl)pyrazine-2-carbohydrazide
CID 42015952
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea?
The IUPAC name of [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea (CID 24638054) is [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea.
What is the SMILES notation for [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea?
The canonical SMILES for [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea is NC(=O)NC(CC(=O)NNC(=O)c1cnccn1)c1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea?
The InChIKey is TWYIDGJAMQESAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O3/c16-10-3-1-2-9(6-10)11(20-15(17)25)7-13(23)21-22-14(24)12-8-18-4-5-19-12/h1-6,8,11H,7H2,(H,21,23)(H,22,24)(H3,17,20,25).
What are the key properties of [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea?
[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea has a molecular weight of 407.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea is sourced from PubChem (CID 24638054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).