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

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Related Compounds

2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
CID 101177675
4-(2-fluorophenyl)-6-(furan-2-yl)-2-piperidin-1-ylpyridine-3-carbonitrile
CID 11725245
2-ethyl-4,6-diphenylpyridine-3-carbonitrile
CID 102404081
4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
CID 72697030
4,6-diphenyl-2-(N-phenylanilino)pyridine-3-carbonitrile
CID 35212524
6-(4-methylphenyl)-2,4-diphenylpyridine-3-carbonitrile
CID 12575122
2-(cyclohexylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 3439401
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
CID 6403511
6-methyl-2-pyrrolidin-1-yl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82092939
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
2-iodo-6-phenylpyridine-3,4-dicarbonitrile
CID 45123386

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).