2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine

C24H21N3O3 — CID 90927692

IUPAC2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1ccc(COc2cc(OCc3ccccn3)cc(OCc3ccccn3)c2)nc1
InChIInChI=1S/C24H21N3O3/c1-4-10-25-19(7-1)16-28-22-13-23(29-17-20-8-2-5-11-26-20)15-24(14-22)30-18-21-9-3-6-12-27-21/h1-15H,16-18H2
InChIKeySRJRXDAKBIESDQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.61
Rot. Bonds9

About 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine

2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine (PubChem CID 90927692) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine
PubChem CID90927692
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1ccc(COc2cc(OCc3ccccn3)cc(OCc3ccccn3)c2)nc1
InChIInChI=1S/C24H21N3O3/c1-4-10-25-19(7-1)16-28-22-13-23(29-17-20-8-2-5-11-26-20)15-24(14-22)30-18-21-9-3-6-12-27-21/h1-15H,16-18H2
InChIKeySRJRXDAKBIESDQ-UHFFFAOYSA-N
XLogP4.61
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

NX-13
CID 146651362
2-(3-(3-Methoxyphenoxy)prop-1-ynyl)pyridine
CID 11299421
4-[5-(3-Piperidin-1-yl-propoxy)-pyridin-2-ylmethyl]-morpholine
CID 11638322
4-Methyl-6-[[3-(pyridin-4-ylmethoxy)phenoxy]methyl]pyridin-2-amine
CID 71769533
3-(3-Pyridin-3-yloxyphenoxy)pyridine
CID 661374
2-(3-(3-Methoxyphenoxy)prop-1-ynyl)-5-methylpyridine
CID 44416142
2-[[3-Methoxy-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145986469
2-[[5-Methoxy-2-(4-methoxyphenyl)phenoxy]methyl]pyridine
CID 145991436
3-(3-Methoxyphenoxy)pyridine
CID 12673488
2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]pyridine
CID 14650376
2-(3,5-Dimethoxyphenoxy)-3-pyridin-4-ylpyridine
CID 172092143
2-(3,5-Dimethoxyphenoxy)-3-(2-methyl-4-pyridinyl)pyridine
CID 172092191

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine (CID 90927692) is 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine is c1ccc(COc2cc(OCc3ccccn3)cc(OCc3ccccn3)c2)nc1.
What is the InChIKey of 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
The InChIKey is SRJRXDAKBIESDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-4-10-25-19(7-1)16-28-22-13-23(29-17-20-8-2-5-11-26-20)15-24(14-22)30-18-21-9-3-6-12-27-21/h1-15H,16-18H2.
What are the key properties of 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine?
2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine has a molecular weight of 399.45 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(pyridin-2-ylmethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 90927692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).