3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine

C25H22N2O2 — CID 135246950

IUPAC3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine
SMILESCOc1ccccc1-c1cccnc1Cc1ccc(COc2ccccc2)nc1
InChIInChI=1S/C25H22N2O2/c1-28-25-12-6-5-10-23(25)22-11-7-15-26-24(22)16-19-13-14-20(27-17-19)18-29-21-8-3-2-4-9-21/h2-15,17H,16,18H2,1H3
InChIKeyFTXWHKLAHIZJDA-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.32
Rot. Bonds7

About 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine

3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine (PubChem CID 135246950) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine
PubChem CID135246950
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine
SMILESCOc1ccccc1-c1cccnc1Cc1ccc(COc2ccccc2)nc1
InChIInChI=1S/C25H22N2O2/c1-28-25-12-6-5-10-23(25)22-11-7-15-26-24(22)16-19-13-14-20(27-17-19)18-29-21-8-3-2-4-9-21/h2-15,17H,16,18H2,1H3
InChIKeyFTXWHKLAHIZJDA-UHFFFAOYSA-N
XLogP5.32
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine (CID 135246950) is 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine is COc1ccccc1-c1cccnc1Cc1ccc(COc2ccccc2)nc1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine?
The InChIKey is FTXWHKLAHIZJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-28-25-12-6-5-10-23(25)22-11-7-15-26-24(22)16-19-13-14-20(27-17-19)18-29-21-8-3-2-4-9-21/h2-15,17H,16,18H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine?
3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine has a molecular weight of 382.46 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-[[6-(phenoxymethyl)-3-pyridinyl]methyl]pyridine is sourced from PubChem (CID 135246950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).