2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C19H25N5O — CID 138992592

IUPAC2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(c3cccnn3)CC2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-14-11-15(2)19(16(3)12-14)21-18(25)13-23-7-9-24(10-8-23)17-5-4-6-20-22-17/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,25)
InChIKeyNLVKCOZBUNCIDB-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 138992592) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID138992592
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(c3cccnn3)CC2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-14-11-15(2)19(16(3)12-14)21-18(25)13-23-7-9-24(10-8-23)17-5-4-6-20-22-17/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,25)
InChIKeyNLVKCOZBUNCIDB-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8545961
N-(2-fluoro-5-methylsulfonylphenyl)-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
CID 146129639
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133416212
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
2-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 20980021
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 166602045
N-(3,5-dimethylphenyl)-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]acetamide
CID 171691064
2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 171337882

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 138992592) is 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN(c3cccnn3)CC2)c(C)c1.
What is the InChIKey of 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NLVKCOZBUNCIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-11-15(2)19(16(3)12-14)21-18(25)13-23-7-9-24(10-8-23)17-5-4-6-20-22-17/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,25).
What are the key properties of 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 138992592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).