3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile

C20H12N4OS — CID 10108923

IUPAC3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1cc(-c2ccccn2)cn(-c2cccnc2)c1=O
InChIInChI=1S/C20H12N4OS/c21-11-19-16(6-9-26-19)17-10-14(18-5-1-2-8-23-18)13-24(20(17)25)15-4-3-7-22-12-15/h1-10,12-13H
InChIKeyZMNWXHZSYLBCIG-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.89
Rot. Bonds3

About 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile

3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile (PubChem CID 10108923) has the molecular formula C20H12N4OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile
PubChem CID10108923
Molecular FormulaC20H12N4OS
Molecular Weight356.41 g/mol
Exact Mass356.07
IUPAC Name3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1cc(-c2ccccn2)cn(-c2cccnc2)c1=O
InChIInChI=1S/C20H12N4OS/c21-11-19-16(6-9-26-19)17-10-14(18-5-1-2-8-23-18)13-24(20(17)25)15-4-3-7-22-12-15/h1-10,12-13H
InChIKeyZMNWXHZSYLBCIG-UHFFFAOYSA-N
XLogP3.89
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile?
The IUPAC name of 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile (CID 10108923) is 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile is N#Cc1sccc1-c1cc(-c2ccccn2)cn(-c2cccnc2)c1=O.
What is the InChIKey of 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile?
The InChIKey is ZMNWXHZSYLBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4OS/c21-11-19-16(6-9-26-19)17-10-14(18-5-1-2-8-23-18)13-24(20(17)25)15-4-3-7-22-12-15/h1-10,12-13H.
What are the key properties of 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile?
3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile has a molecular weight of 356.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-5-pyridin-2-yl-1-pyridin-3-yl-3-pyridinyl)thiophene-2-carbonitrile is sourced from PubChem (CID 10108923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).