6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile

C25H16N2O2 — CID 127030307

IUPAC6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc3ccccc3c2)c1C#N
InChIInChI=1S/C25H16N2O2/c1-28-25-21(15-26)20(18-11-10-16-6-2-3-7-17(16)12-18)14-22(27-25)24-13-19-8-4-5-9-23(19)29-24/h2-14H,1H3
InChIKeyAWQRPTIXSXVXHS-UHFFFAOYSA-N
MW376.42 g/mol
LogP6.20
Rot. Bonds3

About 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile (PubChem CID 127030307) has the molecular formula C25H16N2O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile
PubChem CID127030307
Molecular FormulaC25H16N2O2
Molecular Weight376.42 g/mol
Exact Mass376.12
IUPAC Name6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile
SMILESCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc3ccccc3c2)c1C#N
InChIInChI=1S/C25H16N2O2/c1-28-25-21(15-26)20(18-11-10-16-6-2-3-7-17(16)12-18)14-22(27-25)24-13-19-8-4-5-9-23(19)29-24/h2-14H,1H3
InChIKeyAWQRPTIXSXVXHS-UHFFFAOYSA-N
XLogP6.20
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile (CID 127030307) is 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile is COc1nc(-c2cc3ccccc3o2)cc(-c2ccc3ccccc3c2)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile?
The InChIKey is AWQRPTIXSXVXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O2/c1-28-25-21(15-26)20(18-11-10-16-6-2-3-7-17(16)12-18)14-22(27-25)24-13-19-8-4-5-9-23(19)29-24/h2-14H,1H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-methoxy-4-naphthalen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 127030307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).