3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C121H167N15O10 — CID 162228170

IUPAC3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESc1ccc(COCCCC2CN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1.c1ccc(COCCCC[C@@H]2CCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCCC[C@H]2CCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCC[C@@H]2CCN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1.c1ccc(COCCC[C@H]2CCN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1
InChIInChI=1S/2C25H35N3O2.2C24H33N3O2.C23H31N3O2/c2*1-2-8-21(9-3-1)19-29-15-5-4-11-23-12-7-14-28(23)24-16-25(18-26-17-24)30-20-22-10-6-13-27-22;2*1-2-6-21(7-3-1)18-28-13-5-8-20-10-12-27(17-20)23-14-24(16-25-15-23)29-19-22-9-4-11-26-22;1-2-6-19(7-3-1)17-27-11-5-8-20-15-26(16-20)22-12-23(14-24-13-22)28-18-21-9-4-10-25-21/h2*1-3,8-9,16-18,22-23,27H,4-7,10-15,19-20H2;2*1-3,6-7,14-16,20,22,26H,4-5,8-13,17-19H2;1-3,6-7,12-14,20-21,25H,4-5,8-11,15-18H2/t22-,23+;22-,23-;20-,22+;20-,22-;21-/m00100/s1
InChIKeyZVAUHAMRKMDURW-PTLPXKKOSA-N
MW1991.76 g/mol
LogP20.85
Rot. Bonds52

About 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 162228170) has the molecular formula C121H167N15O10 and a molecular weight of 1991.76 g/mol. Its IUPAC name is 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID162228170
Molecular FormulaC121H167N15O10
Molecular Weight1991.76 g/mol
Exact Mass1990.30
IUPAC Name3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESc1ccc(COCCCC2CN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1.c1ccc(COCCCC[C@@H]2CCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCCC[C@H]2CCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCC[C@@H]2CCN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1.c1ccc(COCCC[C@H]2CCN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1
InChIInChI=1S/2C25H35N3O2.2C24H33N3O2.C23H31N3O2/c2*1-2-8-21(9-3-1)19-29-15-5-4-11-23-12-7-14-28(23)24-16-25(18-26-17-24)30-20-22-10-6-13-27-22;2*1-2-6-21(7-3-1)18-28-13-5-8-20-10-12-27(17-20)23-14-24(16-25-15-23)29-19-22-9-4-11-26-22;1-2-6-19(7-3-1)17-27-11-5-8-20-15-26(16-20)22-12-23(14-24-13-22)28-18-21-9-4-10-25-21/h2*1-3,8-9,16-18,22-23,27H,4-7,10-15,19-20H2;2*1-3,6-7,14-16,20,22,26H,4-5,8-13,17-19H2;1-3,6-7,12-14,20-21,25H,4-5,8-11,15-18H2/t22-,23+;22-,23-;20-,22+;20-,22-;21-/m00100/s1
InChIKeyZVAUHAMRKMDURW-PTLPXKKOSA-N
XLogP20.85
TPSA233.10 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds52
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001991.76
LogP ≤ 520.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 162228170) is 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is c1ccc(COCCCC2CN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1.c1ccc(COCCCC[C@@H]2CCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCCC[C@H]2CCCN2c2cncc(OC[C@@H]3CCCN3)c2)cc1.c1ccc(COCCC[C@@H]2CCN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1.c1ccc(COCCC[C@H]2CCN(c3cncc(OC[C@@H]4CCCN4)c3)C2)cc1.
What is the InChIKey of 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is ZVAUHAMRKMDURW-PTLPXKKOSA-N. The full InChI is InChI=1S/2C25H35N3O2.2C24H33N3O2.C23H31N3O2/c2*1-2-8-21(9-3-1)19-29-15-5-4-11-23-12-7-14-28(23)24-16-25(18-26-17-24)30-20-22-10-6-13-27-22;2*1-2-6-21(7-3-1)18-28-13-5-8-20-10-12-27(17-20)23-14-24(16-25-15-23)29-19-22-9-4-11-26-22;1-2-6-19(7-3-1)17-27-11-5-8-20-15-26(16-20)22-12-23(14-24-13-22)28-18-21-9-4-10-25-21/h2*1-3,8-9,16-18,22-23,27H,4-7,10-15,19-20H2;2*1-3,6-7,14-16,20,22,26H,4-5,8-13,17-19H2;1-3,6-7,12-14,20-21,25H,4-5,8-11,15-18H2/t22-,23+;22-,23-;20-,22+;20-,22-;21-/m00100/s1.
What are the key properties of 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 1991.76 g/mol, XLogP of 20.85, 52 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(2R)-2-(4-phenylmethoxybutyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[3-(3-phenylmethoxypropyl)azetidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3S)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;3-[(3R)-3-(3-phenylmethoxypropyl)pyrrolidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 162228170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).