N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide

C15H17BrN4O2 — CID 109113829

IUPACN-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(C)c(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O2/c1-10-3-4-11(9-12(10)16)18-15(21)13-5-6-14(20-19-13)17-7-8-22-2/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJJQMSIQEIYKICX-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.86
Rot. Bonds6

About N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide

N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide (PubChem CID 109113829) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
PubChem CID109113829
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC NameN-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)Nc2ccc(C)c(Br)c2)nn1
InChIInChI=1S/C15H17BrN4O2/c1-10-3-4-11(9-12(10)16)18-15(21)13-5-6-14(20-19-13)17-7-8-22-2/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJJQMSIQEIYKICX-UHFFFAOYSA-N
XLogP2.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.86
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-(2-methoxyethylamino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109113837
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
N-(3-bromo-4-methylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276316
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112196
N-(4-bromo-3-methylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111125
6-(2-methoxyethylamino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109113835
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
N-[4-(diethylamino)-2-methylphenyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113888
6-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridazine-3-carboxamide
CID 62166237
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide (CID 109113829) is N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide is COCCNc1ccc(C(=O)Nc2ccc(C)c(Br)c2)nn1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The InChIKey is JJQMSIQEIYKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-10-3-4-11(9-12(10)16)18-15(21)13-5-6-14(20-19-13)17-7-8-22-2/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).