3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine

C24H20N2O2 — CID 123258117

IUPAC3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine
SMILESc1cncc(-c2ccc(OCCOc3ccc(-c4cccnc4)cc3)cc2)c1
InChIInChI=1S/C24H20N2O2/c1-3-21(17-25-13-1)19-5-9-23(10-6-19)27-15-16-28-24-11-7-20(8-12-24)22-4-2-14-26-18-22/h1-14,17-18H,15-16H2
InChIKeyJSTBOQVMJIWASF-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.27
Rot. Bonds7

About 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine

3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine (PubChem CID 123258117) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine
PubChem CID123258117
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine
SMILESc1cncc(-c2ccc(OCCOc3ccc(-c4cccnc4)cc3)cc2)c1
InChIInChI=1S/C24H20N2O2/c1-3-21(17-25-13-1)19-5-9-23(10-6-19)27-15-16-28-24-11-7-20(8-12-24)22-4-2-14-26-18-22/h1-14,17-18H,15-16H2
InChIKeyJSTBOQVMJIWASF-UHFFFAOYSA-N
XLogP5.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Bisacodyl
CID 2391
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
CT 1730; GR 259653X
CID 89809670
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine?
The IUPAC name of 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine (CID 123258117) is 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine.
What is the SMILES notation for 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine?
The canonical SMILES for 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine is c1cncc(-c2ccc(OCCOc3ccc(-c4cccnc4)cc3)cc2)c1.
What is the InChIKey of 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine?
The InChIKey is JSTBOQVMJIWASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-3-21(17-25-13-1)19-5-9-23(10-6-19)27-15-16-28-24-11-7-20(8-12-24)22-4-2-14-26-18-22/h1-14,17-18H,15-16H2.
What are the key properties of 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine?
3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine has a molecular weight of 368.44 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-pyridin-3-ylphenoxy)ethoxy]phenyl]pyridine is sourced from PubChem (CID 123258117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).