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

C17H24N2O — CID 71584829

IUPAC5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3/t16-/m0/s1
InChIKeyCZWUYUYQOZHEAK-INIZCTEOSA-N
MW272.39 g/mol
LogP3.06
Rot. Bonds5

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

5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 71584829) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID71584829
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESCCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3/t16-/m0/s1
InChIKeyCZWUYUYQOZHEAK-INIZCTEOSA-N
XLogP3.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 71584829) is 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is CCCCC#Cc1cnc(C)c(OC[C@@H]2CCCN2)c1.
What is the InChIKey of 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is CZWUYUYQOZHEAK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 272.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 71584829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).