2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile

C21H11N3O2S — CID 57446320

IUPAC2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)cc1
InChIInChI=1S/C21H11N3O2S/c22-11-14-3-5-16(6-4-14)26-21-18(12-23)17(15-7-8-25-13-15)10-19(24-21)20-2-1-9-27-20/h1-10,13H
InChIKeyOEPUKBYRCFIUGC-UHFFFAOYSA-N
MW369.41 g/mol
LogP5.61
Rot. Bonds4

About 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile

2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 57446320) has the molecular formula C21H11N3O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID57446320
Molecular FormulaC21H11N3O2S
Molecular Weight369.41 g/mol
Exact Mass369.06
IUPAC Name2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)cc1
InChIInChI=1S/C21H11N3O2S/c22-11-14-3-5-16(6-4-14)26-21-18(12-23)17(15-7-8-25-13-15)10-19(24-21)20-2-1-9-27-20/h1-10,13H
InChIKeyOEPUKBYRCFIUGC-UHFFFAOYSA-N
XLogP5.61
TPSA82.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.41
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 46224813
CID 46224813
CID 644742
CID 644742
CID 657930
CID 657930
CID 658573
CID 658573
CID 2817023
CID 2817023
CID 9497523
CID 9497523
CID 46229205
CID 46229205
CID 46229578
CID 46229578
CID 46229600
CID 46229600
CID 46229601
CID 46229601
CID 46229628
CID 46229628
CID 46229629
CID 46229629

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 57446320) is 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1ccc(Oc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is OEPUKBYRCFIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N3O2S/c22-11-14-3-5-16(6-4-14)26-21-18(12-23)17(15-7-8-25-13-15)10-19(24-21)20-2-1-9-27-20/h1-10,13H.
What are the key properties of 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 369.41 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 57446320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).