2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide

C11H10BrN5O — CID 106897715

IUPAC2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCc1cccnn1
InChIInChI=1S/C11H10BrN5O/c12-7-4-9(10(13)14-5-7)11(18)15-6-8-2-1-3-16-17-8/h1-5H,6H2,(H2,13,14)(H,15,18)
InChIKeyCDIYISGYQUJYJL-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide

2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 106897715) has the molecular formula C11H10BrN5O and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID106897715
Molecular FormulaC11H10BrN5O
Molecular Weight308.14 g/mol
Exact Mass307.01
IUPAC Name2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NCc1cccnn1
InChIInChI=1S/C11H10BrN5O/c12-7-4-9(10(13)14-5-7)11(18)15-6-8-2-1-3-16-17-8/h1-5H,6H2,(H2,13,14)(H,15,18)
InChIKeyCDIYISGYQUJYJL-UHFFFAOYSA-N
XLogP1.15
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-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

2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
2-amino-5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 82743986
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
2-amino-5-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 64694166
2-amino-5-bromo-N-[(3-chlorophenyl)methyl]pyridine-3-carboxamide
CID 55086307
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
2-amino-3-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894585
5-bromo-2-N-(pyridazin-3-ylmethyl)pyridine-2,3-diamine
CID 106894815
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide (CID 106897715) is 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NCc1cccnn1.
What is the InChIKey of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CDIYISGYQUJYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O/c12-7-4-9(10(13)14-5-7)11(18)15-6-8-2-1-3-16-17-8/h1-5H,6H2,(H2,13,14)(H,15,18).
What are the key properties of 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 308.14 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106897715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).