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

C18H21BrN4O — CID 113039247

IUPAC2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3)nn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-13-8-10-23(11-9-13)17-7-6-16(21-22-17)20-18(24)12-14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H,20,21,24)
InChIKeyRHPNXIQGODZGDV-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.66
Rot. Bonds4

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

2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide (PubChem CID 113039247) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
PubChem CID113039247
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3)nn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-13-8-10-23(11-9-13)17-7-6-16(21-22-17)20-18(24)12-14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H,20,21,24)
InChIKeyRHPNXIQGODZGDV-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

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Related Compounds

2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
2-(4-bromophenyl)-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 113024871
2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
2-(4-chlorophenoxy)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039221
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
2-(4-methoxyphenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040242
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
2,3,4-trifluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039235
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide (CID 113039247) is 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide is CC1CCN(c2ccc(NC(=O)Cc3ccc(Br)cc3)nn2)CC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
The InChIKey is RHPNXIQGODZGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-13-8-10-23(11-9-13)17-7-6-16(21-22-17)20-18(24)12-14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H,20,21,24).
What are the key properties of 2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide?
2-(4-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-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113039247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).