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

C11H13F3N2O2 — CID 47017394

IUPACN-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-6(2)5-15-9(17)7-3-4-8(11(12,13)14)16-10(7)18/h3-4,6H,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAUHGTAZFLQIYAG-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.78
Rot. Bonds3

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

N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 47017394) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID47017394
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H13F3N2O2/c1-6(2)5-15-9(17)7-3-4-8(11(12,13)14)16-10(7)18/h3-4,6H,5H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyAUHGTAZFLQIYAG-UHFFFAOYSA-N
XLogP1.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 47017394) is N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(C)CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AUHGTAZFLQIYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6(2)5-15-9(17)7-3-4-8(11(12,13)14)16-10(7)18/h3-4,6H,5H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47017394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).