6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

C14H15BrN4O — CID 76903782

IUPAC6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-3-2-4-12(15)7-10)13-6-5-11(8-17-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyTVQMRVONDVIMKK-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.58
Rot. Bonds4

About 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide

6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (PubChem CID 76903782) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
PubChem CID76903782
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
SMILESCN(Cc1cccc(Br)c1)c1ccc(C(N)=NO)cn1
InChIInChI=1S/C14H15BrN4O/c1-19(9-10-3-2-4-12(15)7-10)13-6-5-11(8-17-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyTVQMRVONDVIMKK-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

N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide
CID 76979072
5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990531
3-[[(5-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114869106
6-[(2-chlorophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903791
3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
CID 75421846
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849
2-[(3-bromophenyl)methyl-methylamino]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739342
3-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 104797610
6-[cyclopropylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 60984897
N'-hydroxy-6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carboximidamide
CID 77073333
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 105414946
5-[(3-bromophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 115488314

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide (CID 76903782) is 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is CN(Cc1cccc(Br)c1)c1ccc(C(N)=NO)cn1.
What is the InChIKey of 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is TVQMRVONDVIMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(9-10-3-2-4-12(15)7-10)13-6-5-11(8-17-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18).
What are the key properties of 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide?
6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-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 6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 76903782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).