6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide

C15H17ClN4O — CID 109110690

IUPAC6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccccc2Cl)nn1
InChIInChI=1S/C15H17ClN4O/c1-2-3-10-17-14-9-8-13(19-20-14)15(21)18-12-7-5-4-6-11(12)16/h4-9H,2-3,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyRIYPFOXIJIUIDA-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.59
Rot. Bonds6

About 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide

6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide (PubChem CID 109110690) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
PubChem CID109110690
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccccc2Cl)nn1
InChIInChI=1S/C15H17ClN4O/c1-2-3-10-17-14-9-8-13(19-20-14)15(21)18-12-7-5-4-6-11(12)16/h4-9H,2-3,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyRIYPFOXIJIUIDA-UHFFFAOYSA-N
XLogP3.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(butylamino)-N-(2-chlorophenyl)pyridazine-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

N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
CID 109110754
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
N-(2-methylsulfanylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 107643067
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide (CID 109110690) is 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2ccccc2Cl)nn1.
What is the InChIKey of 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
The InChIKey is RIYPFOXIJIUIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-2-3-10-17-14-9-8-13(19-20-14)15(21)18-12-7-5-4-6-11(12)16/h4-9H,2-3,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109110690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).