N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide

C18H15BrN4O — CID 109126897

IUPACN-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccc(Br)cc3)nn2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-3-2-4-15(11-12)20-17-10-9-16(22-23-17)18(24)21-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyIWDYWGBQWVYCNJ-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide

N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide (PubChem CID 109126897) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
PubChem CID109126897
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC NameN-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccc(Br)cc3)nn2)c1
InChIInChI=1S/C18H15BrN4O/c1-12-3-2-4-15(11-12)20-17-10-9-16(22-23-17)18(24)21-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyIWDYWGBQWVYCNJ-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

Analyze N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
N-(3-methoxyphenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126899
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128469
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide (CID 109126897) is N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide is Cc1cccc(Nc2ccc(C(=O)Nc3ccc(Br)cc3)nn2)c1.
What is the InChIKey of N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
The InChIKey is IWDYWGBQWVYCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-3-2-4-15(11-12)20-17-10-9-16(22-23-17)18(24)21-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide?
N-(4-bromophenyl)-6-(3-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-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109126897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).