2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine

C21H21N3 — CID 95714571

IUPAC2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESc1ccc(-c2cccc(CN3CCC[C@@H]3c3ccccn3)c2)nc1
InChIInChI=1S/C21H21N3/c1-3-12-22-19(9-1)18-8-5-7-17(15-18)16-24-14-6-11-21(24)20-10-2-4-13-23-20/h1-5,7-10,12-13,15,21H,6,11,14,16H2/t21-/m1/s1
InChIKeyFXNOQZBISJEMPZ-OAQYLSRUSA-N
MW315.42 g/mol
LogP4.48
Rot. Bonds4

About 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine

2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 95714571) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID95714571
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESc1ccc(-c2cccc(CN3CCC[C@@H]3c3ccccn3)c2)nc1
InChIInChI=1S/C21H21N3/c1-3-12-22-19(9-1)18-8-5-7-17(15-18)16-24-14-6-11-21(24)20-10-2-4-13-23-20/h1-5,7-10,12-13,15,21H,6,11,14,16H2/t21-/m1/s1
InChIKeyFXNOQZBISJEMPZ-OAQYLSRUSA-N
XLogP4.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine (CID 95714571) is 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine is c1ccc(-c2cccc(CN3CCC[C@@H]3c3ccccn3)c2)nc1.
What is the InChIKey of 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is FXNOQZBISJEMPZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21N3/c1-3-12-22-19(9-1)18-8-5-7-17(15-18)16-24-14-6-11-21(24)20-10-2-4-13-23-20/h1-5,7-10,12-13,15,21H,6,11,14,16H2/t21-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine?
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 315.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95714571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).