3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine

C18H26N2O — CID 18458799

IUPAC3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCCCCCC#Cc1cncc(OCC2CCCN2)c1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-6-7-9-16-12-18(14-19-13-16)21-15-17-10-8-11-20-17/h12-14,17,20H,2-6,8,10-11,15H2,1H3
InChIKeyGLLZASZDZNTDTR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.53
Rot. Bonds7

About 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine

3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine (PubChem CID 18458799) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
PubChem CID18458799
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine
SMILESCCCCCCC#Cc1cncc(OCC2CCCN2)c1
InChIInChI=1S/C18H26N2O/c1-2-3-4-5-6-7-9-16-12-18(14-19-13-16)21-15-17-10-8-11-20-17/h12-14,17,20H,2-6,8,10-11,15H2,1H3
InChIKeyGLLZASZDZNTDTR-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(6-fluorohex-1-ynyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 59330545
3-[[(2S)-azetidin-2-yl]methoxy]-5-(6-fluorohex-1-ynyl)pyridine
CID 59330540
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
3-(azetidin-2-ylmethoxy)-5-pentylpyridine
CID 77323353
3-butyl-2-chloro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57313575
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
CID 22961876
6-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol
CID 11323701
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
6-(5-ethoxy-3-pyridinyl)hex-5-yn-1-amine
CID 106208818
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908

Frequently Asked Questions

What is the IUPAC name of 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The IUPAC name of 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine (CID 18458799) is 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine.
What is the SMILES notation for 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The canonical SMILES for 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine is CCCCCCC#Cc1cncc(OCC2CCCN2)c1.
What is the InChIKey of 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
The InChIKey is GLLZASZDZNTDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-4-5-6-7-9-16-12-18(14-19-13-16)21-15-17-10-8-11-20-17/h12-14,17,20H,2-6,8,10-11,15H2,1H3.
What are the key properties of 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine?
3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine has a molecular weight of 286.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-ynyl-5-(pyrrolidin-2-ylmethoxy)pyridine is sourced from PubChem (CID 18458799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).