N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide

C18H15BrN4O — CID 109126791

IUPACN-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)Nc2cccc(Br)c2)nn1
InChIInChI=1S/C18H15BrN4O/c1-12-5-2-3-8-15(12)21-17-10-9-16(22-23-17)18(24)20-14-7-4-6-13(19)11-14/h2-11H,1H3,(H,20,24)(H,21,23)
InChIKeyCSXUDUJLPUMINT-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide

N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide (PubChem CID 109126791) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
PubChem CID109126791
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC NameN-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)Nc2cccc(Br)c2)nn1
InChIInChI=1S/C18H15BrN4O/c1-12-5-2-3-8-15(12)21-17-10-9-16(22-23-17)18(24)20-14-7-4-6-13(19)11-14/h2-11H,1H3,(H,20,24)(H,21,23)
InChIKeyCSXUDUJLPUMINT-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126617
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127587
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127862
methyl 3-[[6-(2,5-dimethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127592
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126815
N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127909

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide (CID 109126791) is N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide is Cc1ccccc1Nc1ccc(C(=O)Nc2cccc(Br)c2)nn1.
What is the InChIKey of N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
The InChIKey is CSXUDUJLPUMINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-5-2-3-8-15(12)21-17-10-9-16(22-23-17)18(24)20-14-7-4-6-13(19)11-14/h2-11H,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109126791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).