4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile

C22H19N3 — CID 72697030

IUPAC4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
SMILESN#Cc1c(-c2ccccn2)cc(-c2ccccc2)cc1N1CCCC1
InChIInChI=1S/C22H19N3/c23-16-20-19(21-10-4-5-11-24-21)14-18(17-8-2-1-3-9-17)15-22(20)25-12-6-7-13-25/h1-5,8-11,14-15H,6-7,12-13H2
InChIKeyWFEWWLHFOOVTAB-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.89
Rot. Bonds3

About 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile

4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile (PubChem CID 72697030) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile.

Molecular Properties

Compound Name4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
PubChem CID72697030
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
SMILESN#Cc1c(-c2ccccn2)cc(-c2ccccc2)cc1N1CCCC1
InChIInChI=1S/C22H19N3/c23-16-20-19(21-10-4-5-11-24-21)14-18(17-8-2-1-3-9-17)15-22(20)25-12-6-7-13-25/h1-5,8-11,14-15H,6-7,12-13H2
InChIKeyWFEWWLHFOOVTAB-UHFFFAOYSA-N
XLogP4.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
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CID 72697177
2-(dimethoxymethyl)-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 11221380
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895
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CID 126496802
4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile
CID 102290405
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
4-(4-chlorophenyl)-2-cyclopropyl-6-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CID 139197896
3-benzyl-2-methyl-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 138966498
2-phenylsulfanyl-4-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 25058119
7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
CID 102290398

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile?
The IUPAC name of 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile (CID 72697030) is 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile.
What is the SMILES notation for 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile?
The canonical SMILES for 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile is N#Cc1c(-c2ccccn2)cc(-c2ccccc2)cc1N1CCCC1.
What is the InChIKey of 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile?
The InChIKey is WFEWWLHFOOVTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c23-16-20-19(21-10-4-5-11-24-21)14-18(17-8-2-1-3-9-17)15-22(20)25-12-6-7-13-25/h1-5,8-11,14-15H,6-7,12-13H2.
What are the key properties of 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile?
4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile has a molecular weight of 325.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile is sourced from PubChem (CID 72697030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).