4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine

C24H28N2O2 — CID 102199067

IUPAC4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine
SMILESCC[C@@H](C)Oc1cc(-c2ccncc2)c(O[C@H](C)CC)cc1-c1ccncc1
InChIInChI=1S/C24H28N2O2/c1-5-17(3)27-23-15-22(20-9-13-26-14-10-20)24(28-18(4)6-2)16-21(23)19-7-11-25-12-8-19/h7-18H,5-6H2,1-4H3/t17-,18-/m1/s1
InChIKeyXYBWBUTYNJYJHU-QZTJIDSGSA-N
MW376.50 g/mol
LogP6.17
Rot. Bonds8

About 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine

4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine (PubChem CID 102199067) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine.

Molecular Properties

Compound Name4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine
PubChem CID102199067
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine
SMILESCC[C@@H](C)Oc1cc(-c2ccncc2)c(O[C@H](C)CC)cc1-c1ccncc1
InChIInChI=1S/C24H28N2O2/c1-5-17(3)27-23-15-22(20-9-13-26-14-10-20)24(28-18(4)6-2)16-21(23)19-7-11-25-12-8-19/h7-18H,5-6H2,1-4H3/t17-,18-/m1/s1
InChIKeyXYBWBUTYNJYJHU-QZTJIDSGSA-N
XLogP6.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CT 1730; GR 259653X
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[3-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618142
[4-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
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6-Phenyl-7-(piperidin-4-yloxy)isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine?
The IUPAC name of 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine (CID 102199067) is 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine.
What is the SMILES notation for 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine?
The canonical SMILES for 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine is CC[C@@H](C)Oc1cc(-c2ccncc2)c(O[C@H](C)CC)cc1-c1ccncc1.
What is the InChIKey of 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine?
The InChIKey is XYBWBUTYNJYJHU-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-5-17(3)27-23-15-22(20-9-13-26-14-10-20)24(28-18(4)6-2)16-21(23)19-7-11-25-12-8-19/h7-18H,5-6H2,1-4H3/t17-,18-/m1/s1.
What are the key properties of 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine?
4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine has a molecular weight of 376.50 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis[[(2R)-butan-2-yl]oxy]-4-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 102199067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).