3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine

C20H26N4 — CID 11163071

IUPAC3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
SMILESc1cncc([C@H]([C@H](c2cccnc2)N2CCCC2)N2CCCC2)c1
InChIInChI=1S/C20H26N4/c1-2-12-23(11-1)19(17-7-5-9-21-15-17)20(24-13-3-4-14-24)18-8-6-10-22-16-18/h5-10,15-16,19-20H,1-4,11-14H2/t19-,20+
InChIKeyOXSFBIFBERGUPO-BGYRXZFFSA-N
MW322.46 g/mol
LogP3.45
Rot. Bonds5

About 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine

3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine (PubChem CID 11163071) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine.

Molecular Properties

Compound Name3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
PubChem CID11163071
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
SMILESc1cncc([C@H]([C@H](c2cccnc2)N2CCCC2)N2CCCC2)c1
InChIInChI=1S/C20H26N4/c1-2-12-23(11-1)19(17-7-5-9-21-15-17)20(24-13-3-4-14-24)18-8-6-10-22-16-18/h5-10,15-16,19-20H,1-4,11-14H2/t19-,20+
InChIKeyOXSFBIFBERGUPO-BGYRXZFFSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-2-pyrrolidin-1-ylethanethiol
CID 142393925
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
CID 82286657
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
1-(4-methylazepan-1-yl)-1-pyridin-3-ylbutan-2-amine
CID 63622936
1-pyridin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
CID 63154944
3-methyl-5-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 72931664
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
7-[(S)-pyridin-3-yl(pyrrolidin-1-yl)methyl]quinolin-8-ol
CID 675468

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine?
The IUPAC name of 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine (CID 11163071) is 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine.
What is the SMILES notation for 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine?
The canonical SMILES for 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine is c1cncc([C@H]([C@H](c2cccnc2)N2CCCC2)N2CCCC2)c1.
What is the InChIKey of 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine?
The InChIKey is OXSFBIFBERGUPO-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-12-23(11-1)19(17-7-5-9-21-15-17)20(24-13-3-4-14-24)18-8-6-10-22-16-18/h5-10,15-16,19-20H,1-4,11-14H2/t19-,20+.
What are the key properties of 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine?
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine has a molecular weight of 322.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine is sourced from PubChem (CID 11163071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).