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

C18H15BrN4O — CID 109126617

IUPAC6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C18H15BrN4O/c1-12-11-13(19)7-8-15(12)21-18(24)16-9-10-17(23-22-16)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyYMFKLYBZUOYZAJ-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

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

6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109126617) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
PubChem CID109126617
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC Name6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C18H15BrN4O/c1-12-11-13(19)7-8-15(12)21-18(24)16-9-10-17(23-22-16)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyYMFKLYBZUOYZAJ-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

N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62186794
1-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]-3-phenylurea
CID 113050162
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(3,4-dimethylanilino)-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109126815
N-(4-bromo-2-methylphenyl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 56765908
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127280
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide (CID 109126617) is 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is YMFKLYBZUOYZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-11-13(19)7-8-15(12)21-18(24)16-9-10-17(23-22-16)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide?
6-anilino-N-(4-bromo-2-methylphenyl)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 6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).