N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

C19H17BrN4O — CID 113050061

IUPACN-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Br)nn2)cc1
InChIInChI=1S/C19H17BrN4O/c1-13-6-8-14(9-7-13)12-19(25)22-18-11-10-17(23-24-18)21-16-5-3-2-4-15(16)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyNISXUQGLJZIDHU-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.47
Rot. Bonds5

About N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113050061) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113050061
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Br)nn2)cc1
InChIInChI=1S/C19H17BrN4O/c1-13-6-8-14(9-7-13)12-19(25)22-18-11-10-17(23-24-18)21-16-5-3-2-4-15(16)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyNISXUQGLJZIDHU-UHFFFAOYSA-N
XLogP4.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide 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

2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045862
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113051664
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113050061) is N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(Nc3ccccc3Br)nn2)cc1.
What is the InChIKey of N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is NISXUQGLJZIDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-6-8-14(9-7-13)12-19(25)22-18-11-10-17(23-24-18)21-16-5-3-2-4-15(16)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 397.28 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113050061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).