2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile

C18H13N3O — CID 154644621

IUPAC2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccc2)cc(-c2ccncc2)c1C#N
InChIInChI=1S/C18H13N3O/c1-22-18-16(12-19)15(13-7-9-20-10-8-13)11-17(21-18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyNZHXWLQIAAJDES-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.69
Rot. Bonds3

About 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile

2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 154644621) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID154644621
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2ccccc2)cc(-c2ccncc2)c1C#N
InChIInChI=1S/C18H13N3O/c1-22-18-16(12-19)15(13-7-9-20-10-8-13)11-17(21-18)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyNZHXWLQIAAJDES-UHFFFAOYSA-N
XLogP3.69
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile (CID 154644621) is 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile is COc1nc(-c2ccccc2)cc(-c2ccncc2)c1C#N.
What is the InChIKey of 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is NZHXWLQIAAJDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-22-18-16(12-19)15(13-7-9-20-10-8-13)11-17(21-18)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile?
2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-phenyl-4-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 154644621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).