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

C17H20BrN5O — CID 113040272

IUPAC2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)nn2)CC1
InChIInChI=1S/C17H20BrN5O/c1-22-7-9-23(10-8-22)16-6-5-15(20-21-16)19-17(24)12-13-3-2-4-14(18)11-13/h2-6,11H,7-10,12H2,1H3,(H,19,20,24)
InChIKeyGNEYUMMGUYQLMC-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.17
Rot. Bonds4

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

2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide (PubChem CID 113040272) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
PubChem CID113040272
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)nn2)CC1
InChIInChI=1S/C17H20BrN5O/c1-22-7-9-23(10-8-22)16-6-5-15(20-21-16)19-17(24)12-13-3-2-4-14(18)11-13/h2-6,11H,7-10,12H2,1H3,(H,19,20,24)
InChIKeyGNEYUMMGUYQLMC-UHFFFAOYSA-N
XLogP2.17
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040242
2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
CID 113038996
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
CID 7593151
2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
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-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 122660232
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
2-[(3-bromophenyl)methoxy]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 24658178
2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide (CID 113040272) is 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3cccc(Br)c3)nn2)CC1.
What is the InChIKey of 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
The InChIKey is GNEYUMMGUYQLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-22-7-9-23(10-8-22)16-6-5-15(20-21-16)19-17(24)12-13-3-2-4-14(18)11-13/h2-6,11H,7-10,12H2,1H3,(H,19,20,24).
What are the key properties of 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide?
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide has a molecular weight of 390.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113040272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).