2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine

C13H19N3O — CID 91647731

IUPAC2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine
SMILESc1cnc(N2CCCC2)c(OC2CCNC2)c1
InChIInChI=1S/C13H19N3O/c1-2-9-16(8-1)13-12(4-3-6-15-13)17-11-5-7-14-10-11/h3-4,6,11,14H,1-2,5,7-10H2
InChIKeyJJXSETYGAHGFNR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds3

About 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine

2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine (PubChem CID 91647731) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine
PubChem CID91647731
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine
SMILESc1cnc(N2CCCC2)c(OC2CCNC2)c1
InChIInChI=1S/C13H19N3O/c1-2-9-16(8-1)13-12(4-3-6-15-13)17-11-5-7-14-10-11/h3-4,6,11,14H,1-2,5,7-10H2
InChIKeyJJXSETYGAHGFNR-UHFFFAOYSA-N
XLogP1.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine?
The IUPAC name of 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine (CID 91647731) is 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine is c1cnc(N2CCCC2)c(OC2CCNC2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine?
The InChIKey is JJXSETYGAHGFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-9-16(8-1)13-12(4-3-6-15-13)17-11-5-7-14-10-11/h3-4,6,11,14H,1-2,5,7-10H2.
What are the key properties of 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine?
2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine has a molecular weight of 233.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-3-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 91647731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).