2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine

C17H20N2O — CID 168514926

IUPAC2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(N3CCCC3)cc2C)cn1
InChIInChI=1S/C17H20N2O/c1-13-11-15(19-9-3-4-10-19)6-8-17(13)20-16-7-5-14(2)18-12-16/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyVROHWOCRLNRSSQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.09
Rot. Bonds3

About 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine

2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine (PubChem CID 168514926) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine
PubChem CID168514926
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine
SMILESCc1ccc(Oc2ccc(N3CCCC3)cc2C)cn1
InChIInChI=1S/C17H20N2O/c1-13-11-15(19-9-3-4-10-19)6-8-17(13)20-16-7-5-14(2)18-12-16/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyVROHWOCRLNRSSQ-UHFFFAOYSA-N
XLogP4.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine?
The IUPAC name of 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine (CID 168514926) is 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine.
What is the SMILES notation for 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine?
The canonical SMILES for 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine is Cc1ccc(Oc2ccc(N3CCCC3)cc2C)cn1.
What is the InChIKey of 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine?
The InChIKey is VROHWOCRLNRSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-11-15(19-9-3-4-10-19)6-8-17(13)20-16-7-5-14(2)18-12-16/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine?
2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine has a molecular weight of 268.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-4-pyrrolidin-1-ylphenoxy)pyridine is sourced from PubChem (CID 168514926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).