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

C15H13F3N2O2 — CID 3716222

IUPACN-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C15H13F3N2O2/c1-19-13(21)12-3-2-8-20(14(12)22)9-10-4-6-11(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyZFSIBBBOXHXGKK-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.28
Rot. Bonds3

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

N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 3716222) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID3716222
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C15H13F3N2O2/c1-19-13(21)12-3-2-8-20(14(12)22)9-10-4-6-11(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21)
InChIKeyZFSIBBBOXHXGKK-UHFFFAOYSA-N
XLogP2.28
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 3716222) is N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ZFSIBBBOXHXGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-19-13(21)12-3-2-8-20(14(12)22)9-10-4-6-11(7-5-10)15(16,17)18/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 3716222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).