8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one

C25H16N2O3 — CID 134805812

IUPAC8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
SMILESO=c1cc(-c2cccnc2)oc2c(-c3ccccc3Oc3ccccc3)nccc12
InChIInChI=1S/C25H16N2O3/c28-21-15-23(17-7-6-13-26-16-17)30-25-19(21)12-14-27-24(25)20-10-4-5-11-22(20)29-18-8-2-1-3-9-18/h1-16H
InChIKeySPGWNAGCLBAOPH-UHFFFAOYSA-N
MW392.41 g/mol
LogP5.71
Rot. Bonds4

About 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one

8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one (PubChem CID 134805812) has the molecular formula C25H16N2O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
PubChem CID134805812
Molecular FormulaC25H16N2O3
Molecular Weight392.41 g/mol
Exact Mass392.12
IUPAC Name8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
SMILESO=c1cc(-c2cccnc2)oc2c(-c3ccccc3Oc3ccccc3)nccc12
InChIInChI=1S/C25H16N2O3/c28-21-15-23(17-7-6-13-26-16-17)30-25-19(21)12-14-27-24(25)20-10-4-5-11-22(20)29-18-8-2-1-3-9-18/h1-16H
InChIKeySPGWNAGCLBAOPH-UHFFFAOYSA-N
XLogP5.71
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one (CID 134805812) is 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one is O=c1cc(-c2cccnc2)oc2c(-c3ccccc3Oc3ccccc3)nccc12.
What is the InChIKey of 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one?
The InChIKey is SPGWNAGCLBAOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O3/c28-21-15-23(17-7-6-13-26-16-17)30-25-19(21)12-14-27-24(25)20-10-4-5-11-22(20)29-18-8-2-1-3-9-18/h1-16H.
What are the key properties of 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one?
8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one has a molecular weight of 392.41 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134805812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).