6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile

C26H21N3O2 — CID 127029677

IUPAC6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(CC)c3ccccc23)c1C#N
InChIInChI=1S/C26H21N3O2/c1-3-29-16-21(18-10-6-7-11-23(18)29)19-14-22(28-26(30-4-2)20(19)15-27)25-13-17-9-5-8-12-24(17)31-25/h5-14,16H,3-4H2,1-2H3
InChIKeyGZCMBUTZGIIFMF-UHFFFAOYSA-N
MW407.47 g/mol
LogP6.41
Rot. Bonds5

About 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile (PubChem CID 127029677) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile
PubChem CID127029677
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(CC)c3ccccc23)c1C#N
InChIInChI=1S/C26H21N3O2/c1-3-29-16-21(18-10-6-7-11-23(18)29)19-14-22(28-26(30-4-2)20(19)15-27)25-13-17-9-5-8-12-24(17)31-25/h5-14,16H,3-4H2,1-2H3
InChIKeyGZCMBUTZGIIFMF-UHFFFAOYSA-N
XLogP6.41
TPSA63.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile (CID 127029677) is 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile is CCOc1nc(-c2cc3ccccc3o2)cc(-c2cn(CC)c3ccccc23)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile?
The InChIKey is GZCMBUTZGIIFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-3-29-16-21(18-10-6-7-11-23(18)29)19-14-22(28-26(30-4-2)20(19)15-27)25-13-17-9-5-8-12-24(17)31-25/h5-14,16H,3-4H2,1-2H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile has a molecular weight of 407.47 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(1-ethylindol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 127029677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).