1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C24H15F3N2O — CID 10216210

IUPAC1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2cccc3ccccc23)c1=O
InChIInChI=1S/C24H15F3N2O/c25-24(26,27)21-13-22(17-8-2-1-3-9-17)29(23(30)20(21)14-28)15-18-11-6-10-16-7-4-5-12-19(16)18/h1-13H,15H2
InChIKeyNRRURPBVLSFELE-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.61
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 10216210) has the molecular formula C24H15F3N2O and a molecular weight of 404.39 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID10216210
Molecular FormulaC24H15F3N2O
Molecular Weight404.39 g/mol
Exact Mass404.11
IUPAC Name1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2cccc3ccccc23)c1=O
InChIInChI=1S/C24H15F3N2O/c25-24(26,27)21-13-22(17-8-2-1-3-9-17)29(23(30)20(21)14-28)15-18-11-6-10-16-7-4-5-12-19(16)18/h1-13H,15H2
InChIKeyNRRURPBVLSFELE-UHFFFAOYSA-N
XLogP5.61
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 10216210) is 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)n(Cc2cccc3ccccc23)c1=O.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is NRRURPBVLSFELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O/c25-24(26,27)21-13-22(17-8-2-1-3-9-17)29(23(30)20(21)14-28)15-18-11-6-10-16-7-4-5-12-19(16)18/h1-13H,15H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 404.39 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-2-oxo-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 10216210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).