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

C21H24FN5O — CID 133373932

IUPACN-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide
SMILESCCc1nnc(N2CCC(NC(=O)c3ccccc3F)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24FN5O/c1-3-15-17(13-23)20(26-25-19(15)4-2)27-11-9-14(10-12-27)24-21(28)16-7-5-6-8-18(16)22/h5-8,14H,3-4,9-12H2,1-2H3,(H,24,28)
InChIKeyQGUTVTLEMPIQAA-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.01
Rot. Bonds5

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

N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide (PubChem CID 133373932) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide
PubChem CID133373932
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC NameN-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide
SMILESCCc1nnc(N2CCC(NC(=O)c3ccccc3F)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24FN5O/c1-3-15-17(13-23)20(26-25-19(15)4-2)27-11-9-14(10-12-27)24-21(28)16-7-5-6-8-18(16)22/h5-8,14H,3-4,9-12H2,1-2H3,(H,24,28)
InChIKeyQGUTVTLEMPIQAA-UHFFFAOYSA-N
XLogP3.01
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)piperazin-1-yl]-N-cyclopropylacetamide
CID 133373077
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
5,6-diethyl-3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile
CID 133373555
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133374204
2-fluoro-N-[1-(4-oxopentanoyl)piperidin-4-yl]benzamide
CID 108549392
5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 99778820
N-[1-(6-chloroisoquinolin-1-yl)piperidin-4-yl]-2-fluorobenzamide
CID 68880991
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide (CID 133373932) is N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide is CCc1nnc(N2CCC(NC(=O)c3ccccc3F)CC2)c(C#N)c1CC.
What is the InChIKey of N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is QGUTVTLEMPIQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-3-15-17(13-23)20(26-25-19(15)4-2)27-11-9-14(10-12-27)24-21(28)16-7-5-6-8-18(16)22/h5-8,14H,3-4,9-12H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide?
N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 381.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 133373932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).