2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

C14H15BrN4O — CID 61416620

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(Cc1ccccc1Br)c1ncccc1/C(N)=N/O
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-5-2-3-7-12(10)15)14-11(13(16)18-20)6-4-8-17-14/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyYCPXZBRGVOJIKB-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.58
Rot. Bonds4

About 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 61416620) has the molecular formula C14H15BrN4O and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID61416620
Molecular FormulaC14H15BrN4O
Molecular Weight335.20 g/mol
Exact Mass334.04
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(Cc1ccccc1Br)c1ncccc1/C(N)=N/O
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-5-2-3-7-12(10)15)14-11(13(16)18-20)6-4-8-17-14/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyYCPXZBRGVOJIKB-UHFFFAOYSA-N
XLogP2.58
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.58
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'}

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Related Compounds

2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
3-chloro-2-[(2-fluorophenyl)methyl-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739336
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboximidamide
CID 104552120
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
N-[(2-bromophenyl)methyl]-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389439
2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 61420434
N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61432324
2-[butyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 61446274
3-chloro-N'-hydroxy-2-[methyl(pyridin-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739305
2-bromo-N'-hydroxy-4-[methyl-[(2-methylphenyl)methyl]amino]benzenecarboximidamide
CID 107278600
2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76929854

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (CID 61416620) is 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is CN(Cc1ccccc1Br)c1ncccc1/C(N)=N/O.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is YCPXZBRGVOJIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(9-10-5-2-3-7-12(10)15)14-11(13(16)18-20)6-4-8-17-14/h2-8,20H,9H2,1H3,(H2,16,18).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 335.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 61416620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).