2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C14H11F3N2O2 — CID 3829072

IUPAC2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-5-3-9(4-6-10)8-19-7-1-2-11(12(18)20)13(19)21/h1-7H,8H2,(H2,18,20)
InChIKeyQGLHIVUHEYGNOO-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.01
Rot. Bonds3

About 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 3829072) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID3829072
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)10-5-3-9(4-6-10)8-19-7-1-2-11(12(18)20)13(19)21/h1-7H,8H2,(H2,18,20)
InChIKeyQGLHIVUHEYGNOO-UHFFFAOYSA-N
XLogP2.01
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 3829072) is 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QGLHIVUHEYGNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)10-5-3-9(4-6-10)8-19-7-1-2-11(12(18)20)13(19)21/h1-7H,8H2,(H2,18,20).
What are the key properties of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 3829072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).