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

C17H24N2O — CID 11219510

IUPAC3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
InChIKeyRVAVBFSGDWYYEQ-INIZCTEOSA-N
MW272.39 g/mol
LogP3.10
Rot. Bonds5

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

3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 11219510) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID11219510
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
InChIKeyRVAVBFSGDWYYEQ-INIZCTEOSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 11219510) is 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1.
What is the InChIKey of 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is RVAVBFSGDWYYEQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 272.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-ynyl-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 11219510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).