N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide

C13H12BrN3O — CID 104672693

IUPACN-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(CCBr)cc1)c1ccnnc1
InChIInChI=1S/C13H12BrN3O/c14-7-5-10-1-3-12(4-2-10)17-13(18)11-6-8-15-16-9-11/h1-4,6,8-9H,5,7H2,(H,17,18)
InChIKeyRARSLPYIWMBEKL-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.67
Rot. Bonds4

About N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide

N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide (PubChem CID 104672693) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide
PubChem CID104672693
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(CCBr)cc1)c1ccnnc1
InChIInChI=1S/C13H12BrN3O/c14-7-5-10-1-3-12(4-2-10)17-13(18)11-6-8-15-16-9-11/h1-4,6,8-9H,5,7H2,(H,17,18)
InChIKeyRARSLPYIWMBEKL-UHFFFAOYSA-N
XLogP2.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-(2-bromoethyl)phenyl]pyridazine-4-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

N-[4-(2-bromoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104786611
pyridazine-4-carbohydrazide;hydrochloride
CID 122236542
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114310163
N-[4-(2-bromoethyl)phenyl]-2,3-dihydroxybenzamide
CID 114345303
N-[4-(2-bromoethyl)phenyl]-3-nitrobenzamide
CID 114310201
N-[4-(2-bromoethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040990
5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
CID 104669628
N-[4-(2-bromoethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114310214
N-[4-(2-hydroxyethyl)phenyl]pyrimidine-5-carboxamide
CID 104627400
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide (CID 104672693) is N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide is O=C(Nc1ccc(CCBr)cc1)c1ccnnc1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide?
The InChIKey is RARSLPYIWMBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-7-5-10-1-3-12(4-2-10)17-13(18)11-6-8-15-16-9-11/h1-4,6,8-9H,5,7H2,(H,17,18).
What are the key properties of N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide?
N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide has a molecular weight of 306.16 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104672693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).