6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide

C17H21ClN4O — CID 109110630

IUPAC6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O/c1-2-3-11-19-16-9-8-15(21-22-16)17(23)20-12-10-13-4-6-14(18)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNPYSSYBZLGXQEH-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.31
Rot. Bonds8

About 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide

6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109110630) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109110630
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H21ClN4O/c1-2-3-11-19-16-9-8-15(21-22-16)17(23)20-12-10-13-4-6-14(18)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNPYSSYBZLGXQEH-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-chlorophenyl)ethylamino]-N-pentylpyridazine-3-carboxamide
CID 109123350
6-[2-(4-chlorophenyl)ethylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111206
6-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109121995
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
CID 109110754
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide (CID 109110630) is 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide is CCCCNc1ccc(C(=O)NCCc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is NPYSSYBZLGXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-2-3-11-19-16-9-8-15(21-22-16)17(23)20-12-10-13-4-6-14(18)7-5-13/h4-9H,2-3,10-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide?
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).