2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile

C21H19N3O — CID 95729395

IUPAC2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccccn2)o1
InChIInChI=1S/C21H19N3O/c22-14-16-6-1-2-7-18(16)21-11-10-17(25-21)15-24-13-5-9-20(24)19-8-3-4-12-23-19/h1-4,6-8,10-12,20H,5,9,13,15H2/t20-/m1/s1
InChIKeyONCRFRPEZNYAOU-HXUWFJFHSA-N
MW329.40 g/mol
LogP4.55
Rot. Bonds4

About 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile

2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile (PubChem CID 95729395) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
PubChem CID95729395
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccccn2)o1
InChIInChI=1S/C21H19N3O/c22-14-16-6-1-2-7-18(16)21-11-10-17(25-21)15-24-13-5-9-20(24)19-8-3-4-12-23-19/h1-4,6-8,10-12,20H,5,9,13,15H2/t20-/m1/s1
InChIKeyONCRFRPEZNYAOU-HXUWFJFHSA-N
XLogP4.55
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99946574
2-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]pyridine
CID 77080675
2-[5-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]furan-2-yl]benzonitrile
CID 50979162
2-[5-[[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
CID 110097069
3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
2-[5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 99953712
2-[5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-yl]benzonitrile
CID 56902027
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[5-[[(1S,5S)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]furan-2-yl]benzonitrile
CID 133122364
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
The IUPAC name of 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile (CID 95729395) is 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile.
What is the SMILES notation for 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
The canonical SMILES for 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc(CN2CCC[C@@H]2c2ccccn2)o1.
What is the InChIKey of 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
The InChIKey is ONCRFRPEZNYAOU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19N3O/c22-14-16-6-1-2-7-18(16)21-11-10-17(25-21)15-24-13-5-9-20(24)19-8-3-4-12-23-19/h1-4,6-8,10-12,20H,5,9,13,15H2/t20-/m1/s1.
What are the key properties of 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile?
2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile has a molecular weight of 329.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]furan-2-yl]benzonitrile is sourced from PubChem (CID 95729395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).