1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C20H15F3N2O2 — CID 10193881

IUPAC1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccccc2)c(C)o1
InChIInChI=1S/C20H15F3N2O2/c1-12-8-15(13(2)27-12)18-9-17(20(21,22)23)16(10-24)19(26)25(18)11-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3
InChIKeyYROFLOYQXSKQAM-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.66
Rot. Bonds3

About 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10193881) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10193881
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccccc2)c(C)o1
InChIInChI=1S/C20H15F3N2O2/c1-12-8-15(13(2)27-12)18-9-17(20(21,22)23)16(10-24)19(26)25(18)11-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3
InChIKeyYROFLOYQXSKQAM-UHFFFAOYSA-N
XLogP4.66
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 10193881) is 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccccc2)c(C)o1.
What is the InChIKey of 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YROFLOYQXSKQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-12-8-15(13(2)27-12)18-9-17(20(21,22)23)16(10-24)19(26)25(18)11-14-6-4-3-5-7-14/h3-9H,11H2,1-2H3.
What are the key properties of 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 372.35 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(2,5-dimethylfuran-3-yl)-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10193881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).