2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine

C15H17N3 — CID 95841459

IUPAC2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESc1ccc([C@@H]2CCCN2Cc2cccnc2)nc1
InChIInChI=1S/C15H17N3/c1-2-9-17-14(6-1)15-7-4-10-18(15)12-13-5-3-8-16-11-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m0/s1
InChIKeyZAWZYVFGUHBMQN-HNNXBMFYSA-N
MW239.32 g/mol
LogP2.81
Rot. Bonds3

About 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine

2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine (PubChem CID 95841459) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
PubChem CID95841459
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESc1ccc([C@@H]2CCCN2Cc2cccnc2)nc1
InChIInChI=1S/C15H17N3/c1-2-9-17-14(6-1)15-7-4-10-18(15)12-13-5-3-8-16-11-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m0/s1
InChIKeyZAWZYVFGUHBMQN-HNNXBMFYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
2-(1H-imidazol-2-yl)-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 124992481
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817922

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine (CID 95841459) is 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine is c1ccc([C@@H]2CCCN2Cc2cccnc2)nc1.
What is the InChIKey of 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is ZAWZYVFGUHBMQN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-9-17-14(6-1)15-7-4-10-18(15)12-13-5-3-8-16-11-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 239.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95841459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).