3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide

C15H17BrN4O — CID 82786091

IUPAC3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1ccccn1)c1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C15H17BrN4O/c1-2-20(10-12-5-3-4-8-18-12)14-7-6-11(9-13(14)16)15(17)19-21/h3-9,21H,2,10H2,1H3,(H2,17,19)
InChIKeyFHRYSAFKRGSRGF-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.97
Rot. Bonds5

About 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide

3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide (PubChem CID 82786091) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
PubChem CID82786091
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1ccccn1)c1ccc(/C(N)=N/O)cc1Br
InChIInChI=1S/C15H17BrN4O/c1-2-20(10-12-5-3-4-8-18-12)14-7-6-11(9-13(14)16)15(17)19-21/h3-9,21H,2,10H2,1H3,(H2,17,19)
InChIKeyFHRYSAFKRGSRGF-UHFFFAOYSA-N
XLogP2.97
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide 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

4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81273408
3-chloro-N'-hydroxy-4-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 76984402
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 82966670
3-bromo-4-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 82787536
3-bromo-N'-hydroxy-4-[methyl(pentan-3-yl)amino]benzenecarboximidamide
CID 82798849
3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
CID 102823195
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
2-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-3-fluorobenzenecarboximidamide
CID 107536550
3-bromo-N'-hydroxy-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 82800121
3-chloro-4-(N-ethylanilino)-N'-hydroxybenzenecarboximidamide
CID 76984250
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
CID 82953898

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide (CID 82786091) is 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide is CCN(Cc1ccccn1)c1ccc(/C(N)=N/O)cc1Br.
What is the InChIKey of 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is FHRYSAFKRGSRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-2-20(10-12-5-3-4-8-18-12)14-7-6-11(9-13(14)16)15(17)19-21/h3-9,21H,2,10H2,1H3,(H2,17,19).
What are the key properties of 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide?
3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 349.23 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82786091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).