5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile

C22H20N4 — CID 6403511

IUPAC5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H20N4/c23-16-19-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)24-25-22(19)26-14-8-3-9-15-26/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyFICUZZFMNCQQIC-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.67
Rot. Bonds3

About 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile

5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile (PubChem CID 6403511) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
PubChem CID6403511
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H20N4/c23-16-19-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)24-25-22(19)26-14-8-3-9-15-26/h1-2,4-7,10-13H,3,8-9,14-15H2
InChIKeyFICUZZFMNCQQIC-UHFFFAOYSA-N
XLogP4.67
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-6-piperidin-1-yl-1,2,4-triazin-3-amine
CID 67364048
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
6-phenyl-5-piperidin-1-yl-1,2,4-triazine
CID 6401390
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 752329
3-(2-fluorophenyl)-6-phenyl-5-piperidin-1-yl-1,2,4-triazine
CID 45035403
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988953
2-benzyl-5-methyl-3,4-diphenyl-6-piperidin-1-ylbenzonitrile
CID 164686950
N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide
CID 13499577
4-chloro-1-methyl-5-phenyl-3-pyrrolidin-1-ylpyrazolo[3,4-c]pyridazine
CID 86717337
10-oxo-3-phenyl-5-pyrrolidin-1-yl-8-thia-6,15-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2(7),3,5,11,13-hexaene-4-carbonitrile
CID 10023655
4-methyl-5-phenyl-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 14144309

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile?
The IUPAC name of 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile (CID 6403511) is 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile is N#Cc1c(N2CCCCC2)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile?
The InChIKey is FICUZZFMNCQQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c23-16-19-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)24-25-22(19)26-14-8-3-9-15-26/h1-2,4-7,10-13H,3,8-9,14-15H2.
What are the key properties of 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile?
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile is sourced from PubChem (CID 6403511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).