2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C26H17F3N2O2 — CID 67340107

IUPAC2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccc(Oc3ccccc3)cc2)c1=O
InChIInChI=1S/C26H17F3N2O2/c27-26(28,29)23-15-24(19-7-3-1-4-8-19)31(25(32)22(23)16-30)17-18-11-13-21(14-12-18)33-20-9-5-2-6-10-20/h1-15H,17H2
InChIKeyPXWDUKOMPCDHDY-UHFFFAOYSA-N
MW446.43 g/mol
LogP6.25
Rot. Bonds5

About 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 67340107) has the molecular formula C26H17F3N2O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID67340107
Molecular FormulaC26H17F3N2O2
Molecular Weight446.43 g/mol
Exact Mass446.12
IUPAC Name2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccc(Oc3ccccc3)cc2)c1=O
InChIInChI=1S/C26H17F3N2O2/c27-26(28,29)23-15-24(19-7-3-1-4-8-19)31(25(32)22(23)16-30)17-18-11-13-21(14-12-18)33-20-9-5-2-6-10-20/h1-15H,17H2
InChIKeyPXWDUKOMPCDHDY-UHFFFAOYSA-N
XLogP6.25
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 67340107) is 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2ccc(Oc3ccccc3)cc2)c1=O.
What is the InChIKey of 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PXWDUKOMPCDHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N2O2/c27-26(28,29)23-15-24(19-7-3-1-4-8-19)31(25(32)22(23)16-30)17-18-11-13-21(14-12-18)33-20-9-5-2-6-10-20/h1-15H,17H2.
What are the key properties of 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 446.43 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[(4-phenoxyphenyl)methyl]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 67340107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).