5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide

C14H15BrN4O — CID 136990531

IUPAC5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-3-2-4-11(15)7-10)12-5-6-13(17-8-12)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyTZTSSJNRPZGDSJ-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.58
Rot. Bonds4

About 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide

5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990531) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990531
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-3-2-4-11(15)7-10)12-5-6-13(17-8-12)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyTZTSSJNRPZGDSJ-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 ≤ 500335.21
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

5-[(3-bromophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 115488314
6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903782
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
CID 136990637
methyl 2-amino-5-[(3-bromophenyl)methyl-methylamino]benzoate
CID 63423524
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
4-(2-aminoethyl)-N-[(3-bromophenyl)methyl]-N-methylaniline
CID 63786530
3-[(3-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 62971074
5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 115489551
4-[(3-bromo-5-fluorophenyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79700948
3-[[(5-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114869106

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide (CID 136990531) is 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide is CN(Cc1cccc(Br)c1)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is TZTSSJNRPZGDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(9-10-3-2-4-11(15)7-10)12-5-6-13(17-8-12)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18).
What are the key properties of 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide?
5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 335.21 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 5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).