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

C19H22N6O — CID 133416212

IUPAC2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C19H22N6O/c1-14-4-3-5-15(2)19(14)21-18(26)13-24-8-10-25(11-9-24)17-7-6-16(12-20)22-23-17/h3-7H,8-11,13H2,1-2H3,(H,21,26)
InChIKeyQWRDKBQKFRULBY-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.73
Rot. Bonds4

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

2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 133416212) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID133416212
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(c2ccc(C#N)nn2)CC1
InChIInChI=1S/C19H22N6O/c1-14-4-3-5-15(2)19(14)21-18(26)13-24-8-10-25(11-9-24)17-7-6-16(12-20)22-23-17/h3-7H,8-11,13H2,1-2H3,(H,21,26)
InChIKeyQWRDKBQKFRULBY-UHFFFAOYSA-N
XLogP1.73
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 133421929
2-[4-[5-(difluoromethoxy)-2-pyridinyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 133424264
2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 138992592
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 136559335
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35919099
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
2-[4-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 39951217
2-[4-[2-[2-cyanopropyl(ethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 87013786
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-(3-cyanothiophen-2-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 18283787

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 133416212) is 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(c2ccc(C#N)nn2)CC1.
What is the InChIKey of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QWRDKBQKFRULBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-4-3-5-15(2)19(14)21-18(26)13-24-8-10-25(11-9-24)17-7-6-16(12-20)22-23-17/h3-7H,8-11,13H2,1-2H3,(H,21,26).
What are the key properties of 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 350.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 133416212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).