2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile

C22H13N3O2S — CID 57446313

IUPAC2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)c1
InChIInChI=1S/C22H13N3O2S/c23-11-15-3-1-4-16(9-15)13-27-22-19(12-24)18(17-6-7-26-14-17)10-20(25-22)21-5-2-8-28-21/h1-10,14H,13H2
InChIKeyMCBHKBLGMYOBFF-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.39
Rot. Bonds5

About 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile

2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile (PubChem CID 57446313) has the molecular formula C22H13N3O2S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
PubChem CID57446313
Molecular FormulaC22H13N3O2S
Molecular Weight383.43 g/mol
Exact Mass383.07
IUPAC Name2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile
SMILESN#Cc1cccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)c1
InChIInChI=1S/C22H13N3O2S/c23-11-15-3-1-4-16(9-15)13-27-22-19(12-24)18(17-6-7-26-14-17)10-20(25-22)21-5-2-8-28-21/h1-10,14H,13H2
InChIKeyMCBHKBLGMYOBFF-UHFFFAOYSA-N
XLogP5.39
TPSA82.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile (CID 57446313) is 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile is N#Cc1cccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
The InChIKey is MCBHKBLGMYOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O2S/c23-11-15-3-1-4-16(9-15)13-27-22-19(12-24)18(17-6-7-26-14-17)10-20(25-22)21-5-2-8-28-21/h1-10,14H,13H2.
What are the key properties of 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile?
2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile has a molecular weight of 383.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methoxy]-4-(furan-3-yl)-6-thiophen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 57446313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).