1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide

C21H24FN5O — CID 133360980

IUPAC1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESCCc1nnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24FN5O/c1-3-17-18(13-23)20(26-25-19(17)4-2)27-11-9-14(10-12-27)21(28)24-16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-12H2,1-2H3,(H,24,28)
InChIKeyBQQMNHIBKDGGPJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide

1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 133360980) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID133360980
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESCCc1nnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24FN5O/c1-3-17-18(13-23)20(26-25-19(17)4-2)27-11-9-14(10-12-27)21(28)24-16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-12H2,1-2H3,(H,24,28)
InChIKeyBQQMNHIBKDGGPJ-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
1-(5-cyano-4-methyl-2-pyridinyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 155951687
5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133359835
5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 99778820
5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360812
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 46333852
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
propan-2-yl 2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 133469687
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 133360980) is 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide is CCc1nnc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(C#N)c1CC.
What is the InChIKey of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is BQQMNHIBKDGGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-3-17-18(13-23)20(26-25-19(17)4-2)27-11-9-14(10-12-27)21(28)24-16-7-5-15(22)6-8-16/h5-8,14H,3-4,9-12H2,1-2H3,(H,24,28).
What are the key properties of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 133360980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).