N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide

C19H23N5O2 — CID 113040589

IUPACN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3C)nn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-5-3-4-6-16(14)13-19(26)20-17-7-8-18(22-21-17)24-11-9-23(10-12-24)15(2)25/h3-8H,9-13H2,1-2H3,(H,20,21,26)
InChIKeyWKHUMOGKOALLOM-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.63
Rot. Bonds4

About N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide

N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide (PubChem CID 113040589) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
PubChem CID113040589
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3C)nn2)CC1
InChIInChI=1S/C19H23N5O2/c1-14-5-3-4-6-16(14)13-19(26)20-17-7-8-18(22-21-17)24-11-9-23(10-12-24)15(2)25/h3-8H,9-13H2,1-2H3,(H,20,21,26)
InChIKeyWKHUMOGKOALLOM-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-[(2-methylbenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043578
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]furan-2-carboxamide
CID 113040547
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
ethyl 4-[6-(2,2-dimethylpropanoylamino)pyridazin-3-yl]piperazine-1-carboxylate
CID 113043573
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121145945
ethyl 4-[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043584
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-3,4-dichlorobenzamide
CID 113040560
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-phenylethanesulfonamide
CID 113040621
1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]ethanone
CID 83536152
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113040581

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide (CID 113040589) is N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccccc3C)nn2)CC1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is WKHUMOGKOALLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-5-3-4-6-16(14)13-19(26)20-17-7-8-18(22-21-17)24-11-9-23(10-12-24)15(2)25/h3-8H,9-13H2,1-2H3,(H,20,21,26).
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)pyridazin-3-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113040589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).