4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

C22H19N3 — CID 11099418

IUPAC4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C22H19N3/c23-16-20-19(17-9-3-1-4-10-17)15-21(18-11-5-2-6-12-18)24-22(20)25-13-7-8-14-25/h1-6,9-12,15H,7-8,13-14H2
InChIKeySCSFLKBTRVVNLW-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.89
Rot. Bonds3

About 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile

4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 11099418) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID11099418
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C22H19N3/c23-16-20-19(17-9-3-1-4-10-17)15-21(18-11-5-2-6-12-18)24-22(20)25-13-7-8-14-25/h1-6,9-12,15H,7-8,13-14H2
InChIKeySCSFLKBTRVVNLW-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

Analyze 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 11099418) is 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCCC1.
What is the InChIKey of 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is SCSFLKBTRVVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c23-16-20-19(17-9-3-1-4-10-17)15-21(18-11-5-2-6-12-18)24-22(20)25-13-7-8-14-25/h1-6,9-12,15H,7-8,13-14H2.
What are the key properties of 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile 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 4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 11099418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).