2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

C18H20N6O2 — CID 133421929

IUPAC2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C18H20N6O2/c1-26-16-5-3-2-4-15(16)20-18(25)13-23-8-10-24(11-9-23)17-7-6-14(12-19)21-22-17/h2-7H,8-11,13H2,1H3,(H,20,25)
InChIKeyJOUIWYANKJVPHR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.12
Rot. Bonds5

About 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 133421929) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID133421929
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C18H20N6O2/c1-26-16-5-3-2-4-15(16)20-18(25)13-23-8-10-24(11-9-23)17-7-6-14(12-19)21-22-17/h2-7H,8-11,13H2,1H3,(H,20,25)
InChIKeyJOUIWYANKJVPHR-UHFFFAOYSA-N
XLogP1.12
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133416212
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethyl N-(2-methoxyphenyl)carbamate
CID 58904602
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
CID 72715202
tert-butyl 4-[2-(2-methoxyanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 166605682
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 133421929) is 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCN(c2ccc(C#N)nn2)CC1.
What is the InChIKey of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is JOUIWYANKJVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-16-5-3-2-4-15(16)20-18(25)13-23-8-10-24(11-9-23)17-7-6-14(12-19)21-22-17/h2-7H,8-11,13H2,1H3,(H,20,25).
What are the key properties of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 352.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 133421929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).