2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine

C22H23N3 — CID 95817945

IUPAC2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESc1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)cc1
InChIInChI=1S/C22H23N3/c1-2-8-18(9-3-1)16-19-11-6-12-21(24-19)22-13-7-15-25(22)17-20-10-4-5-14-23-20/h1-6,8-12,14,22H,7,13,15-17H2/t22-/m0/s1
InChIKeyWKPNGPLWAKDVLD-QFIPXVFZSA-N
MW329.45 g/mol
LogP4.40
Rot. Bonds5

About 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine

2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine (PubChem CID 95817945) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
PubChem CID95817945
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESc1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)cc1
InChIInChI=1S/C22H23N3/c1-2-8-18(9-3-1)16-19-11-6-12-21(24-19)22-13-7-15-25(22)17-20-10-4-5-14-23-20/h1-6,8-12,14,22H,7,13,15-17H2/t22-/m0/s1
InChIKeyWKPNGPLWAKDVLD-QFIPXVFZSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506
2-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653815
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 110254690
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 132534708

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine (CID 95817945) is 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine is c1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccccn3)n2)cc1.
What is the InChIKey of 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is WKPNGPLWAKDVLD-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N3/c1-2-8-18(9-3-1)16-19-11-6-12-21(24-19)22-13-7-15-25(22)17-20-10-4-5-14-23-20/h1-6,8-12,14,22H,7,13,15-17H2/t22-/m0/s1.
What are the key properties of 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine?
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 329.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95817945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).