2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride

C20H30Cl4N4 — CID 138112738

IUPAC2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1ccc(CN2CCCC2C2CCCN2Cc2ccccn2)nc1
InChIInChI=1S/C20H26N4.4ClH/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18;;;;/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2;4*1H
InChIKeyWTQUEUGYNCZETF-UHFFFAOYSA-N
MW468.30 g/mol
LogP4.79
Rot. Bonds5

About 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride

2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride (PubChem CID 138112738) has the molecular formula C20H30Cl4N4 and a molecular weight of 468.30 g/mol. Its IUPAC name is 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride.

Molecular Properties

Compound Name2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
PubChem CID138112738
Molecular FormulaC20H30Cl4N4
Molecular Weight468.30 g/mol
Exact Mass466.12
IUPAC Name2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1ccc(CN2CCCC2C2CCCN2Cc2ccccn2)nc1
InChIInChI=1S/C20H26N4.4ClH/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18;;;;/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2;4*1H
InChIKeyWTQUEUGYNCZETF-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.30
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride with MolForge

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Related Compounds

2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 132534708
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
(3aR,6aS)-1-(furan-3-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124804817
(3aS,6aS)-1-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97386430
(3aR,6aS)-4-[(5-methylthiophen-2-yl)methyl]-1-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97459267
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
2-[(2-ethylazetidin-1-yl)methyl]pyridine
CID 130678024
2-[4-[(2S)-1-(pyridin-2-ylmethyl)piperidin-2-yl]piperidin-1-yl]acetamide
CID 95828021
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835
4-phenyl-1-(pyridin-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol
CID 57445849

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
The IUPAC name of 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride (CID 138112738) is 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride.
What is the SMILES notation for 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
The canonical SMILES for 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride is Cl.Cl.Cl.Cl.c1ccc(CN2CCCC2C2CCCN2Cc2ccccn2)nc1.
What is the InChIKey of 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
The InChIKey is WTQUEUGYNCZETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4.4ClH/c1-3-11-21-17(7-1)15-23-13-5-9-19(23)20-10-6-14-24(20)16-18-8-2-4-12-22-18;;;;/h1-4,7-8,11-12,19-20H,5-6,9-10,13-16H2;4*1H.
What are the key properties of 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride?
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride has a molecular weight of 468.30 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride is sourced from PubChem (CID 138112738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).