6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide

C19H17BrN4O3 — CID 133435107

IUPAC6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)Nc3ccccc3)nn2)cc(OC)c1Br
InChIInChI=1S/C19H17BrN4O3/c1-26-15-10-13(11-16(27-2)18(15)20)21-17-9-8-14(23-24-17)19(25)22-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeySWBOMXVEBKLEIC-UHFFFAOYSA-N
MW429.27 g/mol
LogP4.25
Rot. Bonds6

About 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide

6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide (PubChem CID 133435107) has the molecular formula C19H17BrN4O3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
PubChem CID133435107
Molecular FormulaC19H17BrN4O3
Molecular Weight429.27 g/mol
Exact Mass428.05
IUPAC Name6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)Nc3ccccc3)nn2)cc(OC)c1Br
InChIInChI=1S/C19H17BrN4O3/c1-26-15-10-13(11-16(27-2)18(15)20)21-17-9-8-14(23-24-17)19(25)22-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeySWBOMXVEBKLEIC-UHFFFAOYSA-N
XLogP4.25
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.27
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloro-2,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 109126727
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
N-(4-bromo-3-methoxyphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 82860303
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109128331

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide (CID 133435107) is 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide is COc1cc(Nc2ccc(C(=O)Nc3ccccc3)nn2)cc(OC)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is SWBOMXVEBKLEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3/c1-26-15-10-13(11-16(27-2)18(15)20)21-17-9-8-14(23-24-17)19(25)22-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide?
6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 429.27 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133435107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).