4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine

C24H21N3O3 — CID 91203977

IUPAC4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1cc(COc2cc(OCc3ccncc3)cc(OCc3ccncc3)c2)ccn1
InChIInChI=1S/C24H21N3O3/c1-7-25-8-2-19(1)16-28-22-13-23(29-17-20-3-9-26-10-4-20)15-24(14-22)30-18-21-5-11-27-12-6-21/h1-15H,16-18H2
InChIKeyAZJQBTTWDUFHBN-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.61
Rot. Bonds9

About 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine

4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine (PubChem CID 91203977) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine
PubChem CID91203977
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine
SMILESc1cc(COc2cc(OCc3ccncc3)cc(OCc3ccncc3)c2)ccn1
InChIInChI=1S/C24H21N3O3/c1-7-25-8-2-19(1)16-28-22-13-23(29-17-20-3-9-26-10-4-20)15-24(14-22)30-18-21-5-11-27-12-6-21/h1-15H,16-18H2
InChIKeyAZJQBTTWDUFHBN-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

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Related Compounds

CID 11957947
CID 11957947
CID 23723241
CID 23723241
CID 46937073
CID 46937073
CID 44357942
CID 44357942
CID 46703035
CID 46703035
CID 46703036
CID 46703036
CID 118735176
CID 118735176
CID 118735177
CID 118735177
CID 661374
CID 661374
CID 894678
CID 894678
CID 44416142
CID 44416142
CID 172092118
CID 172092118

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
The IUPAC name of 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine (CID 91203977) is 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine is c1cc(COc2cc(OCc3ccncc3)cc(OCc3ccncc3)c2)ccn1.
What is the InChIKey of 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
The InChIKey is AZJQBTTWDUFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-7-25-8-2-19(1)16-28-22-13-23(29-17-20-3-9-26-10-4-20)15-24(14-22)30-18-21-5-11-27-12-6-21/h1-15H,16-18H2.
What are the key properties of 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine?
4-[[3,5-bis(pyridin-4-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 4-[[3,5-bis(pyridin-4-ylmethoxy)phenoxy]methyl]pyridine is sourced from PubChem (CID 91203977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).