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

C14H15BrN4O — CID 62186794

IUPACN-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(Br)cc2C)nn1
InChIInChI=1S/C14H15BrN4O/c1-3-16-13-7-6-12(18-19-13)14(20)17-11-5-4-10(15)8-9(11)2/h4-8H,3H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWJEJESDHPRLIAL-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.23
Rot. Bonds4

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

N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide (PubChem CID 62186794) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
PubChem CID62186794
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(Br)cc2C)nn1
InChIInChI=1S/C14H15BrN4O/c1-3-16-13-7-6-12(18-19-13)14(20)17-11-5-4-10(15)8-9(11)2/h4-8H,3H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyWJEJESDHPRLIAL-UHFFFAOYSA-N
XLogP3.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126617
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
N-(2,5-dichloro-4-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 104728134
N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 107793423
N-(4-bromo-2,6-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62167008
N-(2,3-dimethylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62166086
N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 56765908
6-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridazine-3-carboxamide
CID 79044361
N-(4-bromo-2-chlorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167689
6-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridazine-3-carboxamide
CID 62166237
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide (CID 62186794) is N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide is CCNc1ccc(C(=O)Nc2ccc(Br)cc2C)nn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The InChIKey is WJEJESDHPRLIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-3-16-13-7-6-12(18-19-13)14(20)17-11-5-4-10(15)8-9(11)2/h4-8H,3H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide?
N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 62186794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).