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

C13H11BrCl2N4O — CID 107793423

IUPACN-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)nn1
InChIInChI=1S/C13H11BrCl2N4O/c1-2-17-10-6-5-9(19-20-10)13(21)18-8-4-3-7(14)11(15)12(8)16/h3-6H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeySFRYKTJGAYQZPL-UHFFFAOYSA-N
MW390.07 g/mol
LogP4.23
Rot. Bonds4

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

N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide (PubChem CID 107793423) has the molecular formula C13H11BrCl2N4O and a molecular weight of 390.07 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
PubChem CID107793423
Molecular FormulaC13H11BrCl2N4O
Molecular Weight390.07 g/mol
Exact Mass387.95
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)nn1
InChIInChI=1S/C13H11BrCl2N4O/c1-2-17-10-6-5-9(19-20-10)13(21)18-8-4-3-7(14)11(15)12(8)16/h3-6H,2H2,1H3,(H,17,20)(H,18,21)
InChIKeySFRYKTJGAYQZPL-UHFFFAOYSA-N
XLogP4.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.07
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62186794
N-(4-bromo-2,6-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62167008
N-(2,5-dichloro-4-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 104728134
N-(3,5-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62173126
N-(2,3-dimethylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62166086
6-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridazine-3-carboxamide
CID 79044361
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
N-(4-bromo-2,3-dichlorophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114001853
6-(ethylamino)-N-(1-methylpyrazol-3-yl)pyridazine-3-carboxamide
CID 62180741
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429
6-(ethylamino)-N-(1H-imidazol-2-yl)pyridazine-3-carboxamide
CID 63565276
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide (CID 107793423) is N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide is CCNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)nn1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
The InChIKey is SFRYKTJGAYQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N4O/c1-2-17-10-6-5-9(19-20-10)13(21)18-8-4-3-7(14)11(15)12(8)16/h3-6H,2H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide?
N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide has a molecular weight of 390.07 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 107793423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).