N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C11H13F3N2O2 — CID 60708540

IUPACN-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-10(2,3)16-9(18)6-4-5-7(11(12,13)14)15-8(6)17/h4-5H,1-3H3,(H,15,17)(H,16,18)
InChIKeyJBSNZXZVFXIMEY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.92
Rot. Bonds1

About N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 60708540) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID60708540
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-10(2,3)16-9(18)6-4-5-7(11(12,13)14)15-8(6)17/h4-5H,1-3H3,(H,15,17)(H,16,18)
InChIKeyJBSNZXZVFXIMEY-UHFFFAOYSA-N
XLogP1.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 60708540) is N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is JBSNZXZVFXIMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(2,3)16-9(18)6-4-5-7(11(12,13)14)15-8(6)17/h4-5H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60708540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).