2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide

C18H21BrN4O — CID 113039248

IUPAC2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)nn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-13-7-9-23(10-8-13)17-6-5-16(21-22-17)20-18(24)12-14-3-2-4-15(19)11-14/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,24)
InChIKeyPAOUOMADMQTKCP-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.66
Rot. Bonds4

About 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide

2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide (PubChem CID 113039248) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
PubChem CID113039248
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)nn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-13-7-9-23(10-8-13)17-6-5-16(21-22-17)20-18(24)12-14-3-2-4-15(19)11-14/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,24)
InChIKeyPAOUOMADMQTKCP-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]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-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 122660232
2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
CID 113038996
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039952
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039235

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide (CID 113039248) is 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide is CC1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)nn2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The InChIKey is PAOUOMADMQTKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-13-7-9-23(10-8-13)17-6-5-16(21-22-17)20-18(24)12-14-3-2-4-15(19)11-14/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,24).
What are the key properties of 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide has a molecular weight of 389.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113039248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).