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

C15H16Cl2N4O2 — CID 109114249

IUPACN-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C15H16Cl2N4O2/c1-23-8-2-7-18-14-6-5-12(20-21-14)15(22)19-13-9-10(16)3-4-11(13)17/h3-6,9H,2,7-8H2,1H3,(H,18,21)(H,19,22)
InChIKeySYAQVXFIFCJJPH-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.48
Rot. Bonds7

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

N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (PubChem CID 109114249) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
PubChem CID109114249
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC NameN-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C15H16Cl2N4O2/c1-23-8-2-7-18-14-6-5-12(20-21-14)15(22)19-13-9-10(16)3-4-11(13)17/h3-6,9H,2,7-8H2,1H3,(H,18,21)(H,19,22)
InChIKeySYAQVXFIFCJJPH-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
CID 109110754
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114184
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125242
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
N-(2,5-dichlorophenyl)-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109276006
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
N-(2,5-dichlorophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129367
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
N-(2,5-dichlorophenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129273

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (CID 109114249) is N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The InChIKey is SYAQVXFIFCJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-23-8-2-7-18-14-6-5-12(20-21-14)15(22)19-13-9-10(16)3-4-11(13)17/h3-6,9H,2,7-8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).