3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine

C22H30N4O — CID 59533117

IUPAC3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
SMILESc1cncc([C@H]2CCCN2CCOCCN2CCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C22H30N4O/c1-5-19(17-23-9-1)21-7-3-11-25(21)13-15-27-16-14-26-12-4-8-22(26)20-6-2-10-24-18-20/h1-2,5-6,9-10,17-18,21-22H,3-4,7-8,11-16H2/t21-,22+
InChIKeyYVEOXPMDTLDUJP-SZPZYZBQSA-N
MW366.51 g/mol
LogP3.47
Rot. Bonds8

About 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine

3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine (PubChem CID 59533117) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
PubChem CID59533117
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
SMILESc1cncc([C@H]2CCCN2CCOCCN2CCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C22H30N4O/c1-5-19(17-23-9-1)21-7-3-11-25(21)13-15-27-16-14-26-12-4-8-22(26)20-6-2-10-24-18-20/h1-2,5-6,9-10,17-18,21-22H,3-4,7-8,11-16H2/t21-,22+
InChIKeyYVEOXPMDTLDUJP-SZPZYZBQSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine (CID 59533117) is 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine is c1cncc([C@H]2CCCN2CCOCCN2CCC[C@H]2c2cccnc2)c1.
What is the InChIKey of 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine?
The InChIKey is YVEOXPMDTLDUJP-SZPZYZBQSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-19(17-23-9-1)21-7-3-11-25(21)13-15-27-16-14-26-12-4-8-22(26)20-6-2-10-24-18-20/h1-2,5-6,9-10,17-18,21-22H,3-4,7-8,11-16H2/t21-,22+.
What are the key properties of 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine?
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine has a molecular weight of 366.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 59533117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).