6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide

C15H16Cl2N4O — CID 109110754

IUPAC6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-2-3-8-18-14-7-6-12(20-21-14)15(22)19-13-9-10(16)4-5-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyPGKUHCONMUQIRT-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.25
Rot. Bonds6

About 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide

6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide (PubChem CID 109110754) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
PubChem CID109110754
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-2-3-8-18-14-7-6-12(20-21-14)15(22)19-13-9-10(16)4-5-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyPGKUHCONMUQIRT-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.25
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

N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
6-(butylamino)-N-[2-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109110630
2-N-butyl-6-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109094367
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
4-(butylamino)-2,5,6-trichloro-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 5182415
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-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129367
N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide (CID 109110754) is 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide is CCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide?
The InChIKey is PGKUHCONMUQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-2-3-8-18-14-7-6-12(20-21-14)15(22)19-13-9-10(16)4-5-11(13)17/h4-7,9H,2-3,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide?
6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109110754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).