3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C15H20N2O2 — CID 25147555

IUPAC3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H20N2O2/c1-17-7-3-6-14(17)12-19-15-9-13(10-16-11-15)5-4-8-18-2/h9-11,14H,3,6-8,12H2,1-2H3/t14-/m0/s1
InChIKeyVHMUGOKNDFSDJF-AWEZNQCLSA-N
MW260.34 g/mol
LogP1.55
Rot. Bonds4

About 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 25147555) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID25147555
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C15H20N2O2/c1-17-7-3-6-14(17)12-19-15-9-13(10-16-11-15)5-4-8-18-2/h9-11,14H,3,6-8,12H2,1-2H3/t14-/m0/s1
InChIKeyVHMUGOKNDFSDJF-AWEZNQCLSA-N
XLogP1.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 25147555) is 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is COCC#Cc1cncc(OC[C@@H]2CCCN2C)c1.
What is the InChIKey of 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is VHMUGOKNDFSDJF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-7-3-6-14(17)12-19-15-9-13(10-16-11-15)5-4-8-18-2/h9-11,14H,3,6-8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 260.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyprop-1-ynyl)-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 25147555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).