2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine

C13H20N2O — CID 129451930

IUPAC2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
SMILESCc1ccc(OCCCN2CCCC2)cn1
InChIInChI=1S/C13H20N2O/c1-12-5-6-13(11-14-12)16-10-4-9-15-7-2-3-8-15/h5-6,11H,2-4,7-10H2,1H3
InChIKeyQVYQJJYELPDFRK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.25
Rot. Bonds5

About 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine

2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine (PubChem CID 129451930) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine.

Molecular Properties

Compound Name2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
PubChem CID129451930
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
SMILESCc1ccc(OCCCN2CCCC2)cn1
InChIInChI=1S/C13H20N2O/c1-12-5-6-13(11-14-12)16-10-4-9-15-7-2-3-8-15/h5-6,11H,2-4,7-10H2,1H3
InChIKeyQVYQJJYELPDFRK-UHFFFAOYSA-N
XLogP2.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
5-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 67198599
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
5-but-3-ynoxy-2-methylpyridine
CID 130668166
5-tert-butyl-3-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazole
CID 24785564
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
4-[3-[(6-bromo-3-pyridinyl)oxy]propyl]morpholine
CID 169006400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine?
The IUPAC name of 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine (CID 129451930) is 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine.
What is the SMILES notation for 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine?
The canonical SMILES for 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine is Cc1ccc(OCCCN2CCCC2)cn1.
What is the InChIKey of 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine?
The InChIKey is QVYQJJYELPDFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12-5-6-13(11-14-12)16-10-4-9-15-7-2-3-8-15/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine?
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine has a molecular weight of 220.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine is sourced from PubChem (CID 129451930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).