2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide

C16H20BrN5O — CID 113039952

IUPAC2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2cccc(Br)c2)nn1
InChIInChI=1S/C16H20BrN5O/c1-22(2)9-8-18-14-6-7-15(21-20-14)19-16(23)11-12-4-3-5-13(17)10-12/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)(H,19,21,23)
InChIKeyBWYZSOLIGKMPNA-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.39
Rot. Bonds7

About 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide

2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide (PubChem CID 113039952) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
PubChem CID113039952
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
SMILESCN(C)CCNc1ccc(NC(=O)Cc2cccc(Br)c2)nn1
InChIInChI=1S/C16H20BrN5O/c1-22(2)9-8-18-14-6-7-15(21-20-14)19-16(23)11-12-4-3-5-13(17)10-12/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)(H,19,21,23)
InChIKeyBWYZSOLIGKMPNA-UHFFFAOYSA-N
XLogP2.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113039942
2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039920
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,3-diphenylpropanamide
CID 113039915
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272
2-phenyl-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037818
2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039451
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-3,5-dimethoxybenzamide
CID 113039907

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide (CID 113039952) is 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide is CN(C)CCNc1ccc(NC(=O)Cc2cccc(Br)c2)nn1.
What is the InChIKey of 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
The InChIKey is BWYZSOLIGKMPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-22(2)9-8-18-14-6-7-15(21-20-14)19-16(23)11-12-4-3-5-13(17)10-12/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)(H,19,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide?
2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide has a molecular weight of 378.27 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113039952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).