4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide

C15H13F3N2O2 — CID 2461566

IUPAC4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1
InChIInChI=1S/C15H13F3N2O2/c1-9-3-5-10(6-4-9)13(21)19-11-7-8-12(15(16,17)18)20(2)14(11)22/h3-8H,1-2H3,(H,19,21)
InChIKeyXHKPRPYZXAWAGM-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.96
Rot. Bonds2

About 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide

4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide (PubChem CID 2461566) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
PubChem CID2461566
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1
InChIInChI=1S/C15H13F3N2O2/c1-9-3-5-10(6-4-9)13(21)19-11-7-8-12(15(16,17)18)20(2)14(11)22/h3-8H,1-2H3,(H,19,21)
InChIKeyXHKPRPYZXAWAGM-UHFFFAOYSA-N
XLogP2.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide (CID 2461566) is 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)n(C)c2=O)cc1.
What is the InChIKey of 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
The InChIKey is XHKPRPYZXAWAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-9-3-5-10(6-4-9)13(21)19-11-7-8-12(15(16,17)18)20(2)14(11)22/h3-8H,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide?
4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide has a molecular weight of 310.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 2461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).