6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile

C23H18N2O4 — CID 127031505

IUPAC6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3cc4ccccc4o3)nc(OC)c2C#N)c1
InChIInChI=1S/C23H18N2O4/c1-26-15-8-9-21(27-2)17(11-15)16-12-19(25-23(28-3)18(16)13-24)22-10-14-6-4-5-7-20(14)29-22/h4-12H,1-3H3
InChIKeyGFSULDPDUZJBGB-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.06
Rot. Bonds5

About 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile (PubChem CID 127031505) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile
PubChem CID127031505
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3cc4ccccc4o3)nc(OC)c2C#N)c1
InChIInChI=1S/C23H18N2O4/c1-26-15-8-9-21(27-2)17(11-15)16-12-19(25-23(28-3)18(16)13-24)22-10-14-6-4-5-7-20(14)29-22/h4-12H,1-3H3
InChIKeyGFSULDPDUZJBGB-UHFFFAOYSA-N
XLogP5.06
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile (CID 127031505) is 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile is COc1ccc(OC)c(-c2cc(-c3cc4ccccc4o3)nc(OC)c2C#N)c1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is GFSULDPDUZJBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-26-15-8-9-21(27-2)17(11-15)16-12-19(25-23(28-3)18(16)13-24)22-10-14-6-4-5-7-20(14)29-22/h4-12H,1-3H3.
What are the key properties of 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 386.41 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-4-(2,5-dimethoxyphenyl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 127031505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).