6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

C14H11F3N2O2 — CID 2108324

IUPAC6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-3-1-2-9(6-11)7-19-13(21)10-4-5-12(20)18-8-10/h1-6,8H,7H2,(H,18,20)(H,19,21)
InChIKeyMNPYYXGQJKEOLA-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.32
Rot. Bonds3

About 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 2108324) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
PubChem CID2108324
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H11F3N2O2/c15-14(16,17)11-3-1-2-9(6-11)7-19-13(21)10-4-5-12(20)18-8-10/h1-6,8H,7H2,(H,18,20)(H,19,21)
InChIKeyMNPYYXGQJKEOLA-UHFFFAOYSA-N
XLogP2.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide (CID 2108324) is 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is MNPYYXGQJKEOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c15-14(16,17)11-3-1-2-9(6-11)7-19-13(21)10-4-5-12(20)18-8-10/h1-6,8H,7H2,(H,18,20)(H,19,21).
What are the key properties of 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2108324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).