2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide

C18H26N6O — CID 133373077

IUPAC2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)c(C#N)c1CC
InChIInChI=1S/C18H26N6O/c1-3-14-15(11-19)18(22-21-16(14)4-2)24-9-7-23(8-10-24)12-17(25)20-13-5-6-13/h13H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyTXCQNWTYMSYSDS-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.87
Rot. Bonds6

About 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 133373077) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID133373077
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESCCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)c(C#N)c1CC
InChIInChI=1S/C18H26N6O/c1-3-14-15(11-19)18(22-21-16(14)4-2)24-9-7-23(8-10-24)12-17(25)20-13-5-6-13/h13H,3-10,12H2,1-2H3,(H,20,25)
InChIKeyTXCQNWTYMSYSDS-UHFFFAOYSA-N
XLogP0.87
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide
CID 133373932
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133374204
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133378935
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 133360980
2-[4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pyrazol-1-yl]-N-cyclopentylacetamide
CID 133360496
methyl 4-(4-cyano-5,6-diethylpyridazin-3-yl)morpholine-2-carboxylate
CID 133378921
N-[(2R)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
CID 36731540
N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
CID 36731543
5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133359835
5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 115871295
2-[4-(6-cyano-3-pyridinyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133358610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide (CID 133373077) is 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide is CCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)c(C#N)c1CC.
What is the InChIKey of 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is TXCQNWTYMSYSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-14-15(11-19)18(22-21-16(14)4-2)24-9-7-23(8-10-24)12-17(25)20-13-5-6-13/h13H,3-10,12H2,1-2H3,(H,20,25).
What are the key properties of 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 342.45 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 133373077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).