6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

C11H9BrN4O — CID 106832234

IUPAC6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnn1)c1cccc(Br)n1
InChIInChI=1S/C11H9BrN4O/c12-10-5-1-4-9(15-10)11(17)13-7-8-3-2-6-14-16-8/h1-6H,7H2,(H,13,17)
InChIKeyUTFOHEUBHIOSNA-UHFFFAOYSA-N
MW293.12 g/mol
LogP1.56
Rot. Bonds3

About 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide

6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 106832234) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID106832234
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnn1)c1cccc(Br)n1
InChIInChI=1S/C11H9BrN4O/c12-10-5-1-4-9(15-10)11(17)13-7-8-3-2-6-14-16-8/h1-6H,7H2,(H,13,17)
InChIKeyUTFOHEUBHIOSNA-UHFFFAOYSA-N
XLogP1.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide 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

6-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897654
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106897774
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridazine-3-carboxamide
CID 106897771
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 106895536
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
5-(methylamino)-N-(pyridazin-3-ylmethyl)pyrazine-2-carboxamide
CID 107377345
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide (CID 106832234) is 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnn1)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is UTFOHEUBHIOSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-10-5-1-4-9(15-10)11(17)13-7-8-3-2-6-14-16-8/h1-6H,7H2,(H,13,17).
What are the key properties of 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide?
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 293.12 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106832234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).