2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

C22H15N3O2 — CID 90897924

IUPAC2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(Cc2ccco2)c1=O
InChIInChI=1S/C22H15N3O2/c23-13-16-6-1-2-8-19(16)20-12-17(21-9-3-4-10-24-21)14-25(22(20)26)15-18-7-5-11-27-18/h1-12,14H,15H2
InChIKeyCJVHGCWHMHVHIJ-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.09
Rot. Bonds4

About 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile

2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (PubChem CID 90897924) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
PubChem CID90897924
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(Cc2ccco2)c1=O
InChIInChI=1S/C22H15N3O2/c23-13-16-6-1-2-8-19(16)20-12-17(21-9-3-4-10-24-21)14-25(22(20)26)15-18-7-5-11-27-18/h1-12,14H,15H2
InChIKeyCJVHGCWHMHVHIJ-UHFFFAOYSA-N
XLogP4.09
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile (CID 90897924) is 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2ccccn2)cn(Cc2ccco2)c1=O.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
The InChIKey is CJVHGCWHMHVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-13-16-6-1-2-8-19(16)20-12-17(21-9-3-4-10-24-21)14-25(22(20)26)15-18-7-5-11-27-18/h1-12,14H,15H2.
What are the key properties of 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile?
2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile has a molecular weight of 353.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 90897924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).