4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

C14H15BrN4O — CID 104797612

IUPAC4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccc(Br)cn1)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H15BrN4O/c1-19(9-12-5-4-11(15)8-17-12)13-6-2-10(3-7-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyIVZKSWVVTJWIOT-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.58
Rot. Bonds4

About 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide

4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 104797612) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID104797612
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(Cc1ccc(Br)cn1)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H15BrN4O/c1-19(9-12-5-4-11(15)8-17-12)13-6-2-10(3-7-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18)
InChIKeyIVZKSWVVTJWIOT-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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide (CID 104797612) is 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is CN(Cc1ccc(Br)cn1)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is IVZKSWVVTJWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-19(9-12-5-4-11(15)8-17-12)13-6-2-10(3-7-13)14(16)18-20/h2-8,20H,9H2,1H3,(H2,16,18).
What are the key properties of 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide?
4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide 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 4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 104797612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).