2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

C22H20N2O3 — CID 979890

IUPAC2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N
InChIInChI=1S/C22H20N2O3/c1-4-27-22-20(14-23)19(15-5-9-17(25-2)10-6-15)13-21(24-22)16-7-11-18(26-3)12-8-16/h5-13H,4H2,1-3H3
InChIKeyATOJCHALHPVRIR-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.70
Rot. Bonds6

About 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 979890) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID979890
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N
InChIInChI=1S/C22H20N2O3/c1-4-27-22-20(14-23)19(15-5-9-17(25-2)10-6-15)13-21(24-22)16-7-11-18(26-3)12-8-16/h5-13H,4H2,1-3H3
InChIKeyATOJCHALHPVRIR-UHFFFAOYSA-N
XLogP4.70
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile (CID 979890) is 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile is CCOc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N.
What is the InChIKey of 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is ATOJCHALHPVRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-4-27-22-20(14-23)19(15-5-9-17(25-2)10-6-15)13-21(24-22)16-7-11-18(26-3)12-8-16/h5-13H,4H2,1-3H3.
What are the key properties of 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile?
2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 360.41 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 979890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).