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

C17H24N2O3 — CID 54582508

IUPAC3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOCCOCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C17H24N2O3/c1-19-7-3-6-16(19)14-22-17-11-15(12-18-13-17)5-4-8-21-10-9-20-2/h11-13,16H,3,6-10,14H2,1-2H3/t16-/m0/s1
InChIKeyLJMMLERAORSTJW-INIZCTEOSA-N
MW304.39 g/mol
LogP1.57
Rot. Bonds7

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

3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54582508) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID54582508
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCOCCOCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C17H24N2O3/c1-19-7-3-6-16(19)14-22-17-11-15(12-18-13-17)5-4-8-21-10-9-20-2/h11-13,16H,3,6-10,14H2,1-2H3/t16-/m0/s1
InChIKeyLJMMLERAORSTJW-INIZCTEOSA-N
XLogP1.57
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ispronicline
CID 9824145
5-(5-Methoxy-3-pyridinyl)-N-methyl-4-penten-2-amine, (2S,4E)-
CID 10262406
6-(5-(((S)-azetidin-2-yl)methoxy)pyridine-3-yl)hex-5-yn-1-ol
CID 11983356
A-84543
CID 9794141
TC-2559
CID 9823180
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynylpyridine
CID 9861755
Txg75jse9G
CID 10012482
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylethynyl-pyridine
CID 10039999
3-Butyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10083372
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-yl]prop-2-yn-1-ol
CID 11230355

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 54582508) is 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is COCCOCC#Cc1cncc(OC[C@@H]2CCCN2C)c1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is LJMMLERAORSTJW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19-7-3-6-16(19)14-22-17-11-15(12-18-13-17)5-4-8-21-10-9-20-2/h11-13,16H,3,6-10,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 304.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)prop-1-ynyl]-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54582508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).