N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide

C13H13BrN4O — CID 113050148

IUPACN-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(Br)cc2C)nn1
InChIInChI=1S/C13H13BrN4O/c1-8-7-10(14)3-4-11(8)16-13-6-5-12(17-18-13)15-9(2)19/h3-7H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyROVYJWFDGXJDHA-UHFFFAOYSA-N
MW321.18 g/mol
LogP3.25
Rot. Bonds3

About N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide

N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide (PubChem CID 113050148) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
PubChem CID113050148
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC NameN-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(Br)cc2C)nn1
InChIInChI=1S/C13H13BrN4O/c1-8-7-10(14)3-4-11(8)16-13-6-5-12(17-18-13)15-9(2)19/h3-7H,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyROVYJWFDGXJDHA-UHFFFAOYSA-N
XLogP3.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]-3-phenylurea
CID 113050162
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyridazine-3-carboxamide
CID 109127280
6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126617
N-(4-bromo-2-methylphenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62186794
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113046202
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
2-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195124
6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
CID 109353932
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide (CID 113050148) is N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide is CC(=O)Nc1ccc(Nc2ccc(Br)cc2C)nn1.
What is the InChIKey of N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide?
The InChIKey is ROVYJWFDGXJDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-7-10(14)3-4-11(8)16-13-6-5-12(17-18-13)15-9(2)19/h3-7H,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide?
N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide has a molecular weight of 321.18 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113050148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).