2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine

C24H21N3O — CID 58106766

IUPAC2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine
SMILESCC(Cc1cccc(-c2cccnc2)n1)c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C24H21N3O/c1-18(16-20-9-5-13-23(26-20)19-8-7-15-25-17-19)22-12-6-14-24(27-22)28-21-10-3-2-4-11-21/h2-15,17-18H,16H2,1H3
InChIKeyIAUPNFFLSMDFIR-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.68
Rot. Bonds6

About 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine

2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine (PubChem CID 58106766) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine
PubChem CID58106766
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine
SMILESCC(Cc1cccc(-c2cccnc2)n1)c1cccc(Oc2ccccc2)n1
InChIInChI=1S/C24H21N3O/c1-18(16-20-9-5-13-23(26-20)19-8-7-15-25-17-19)22-12-6-14-24(27-22)28-21-10-3-2-4-11-21/h2-15,17-18H,16H2,1H3
InChIKeyIAUPNFFLSMDFIR-UHFFFAOYSA-N
XLogP5.68
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine?
The IUPAC name of 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine (CID 58106766) is 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine?
The canonical SMILES for 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine is CC(Cc1cccc(-c2cccnc2)n1)c1cccc(Oc2ccccc2)n1.
What is the InChIKey of 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine?
The InChIKey is IAUPNFFLSMDFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18(16-20-9-5-13-23(26-20)19-8-7-15-25-17-19)22-12-6-14-24(27-22)28-21-10-3-2-4-11-21/h2-15,17-18H,16H2,1H3.
What are the key properties of 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine?
2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine has a molecular weight of 367.45 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-[1-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine is sourced from PubChem (CID 58106766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).