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

C11H12F3N3O2 — CID 119450947

IUPAC2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-7(10(19)17-8)9(18)16-6-3-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,18)(H,17,19)
InChIKeyGXAUSSZFMZKYKD-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.49
Rot. Bonds2

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

2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 119450947) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID119450947
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-7(10(19)17-8)9(18)16-6-3-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,18)(H,17,19)
InChIKeyGXAUSSZFMZKYKD-UHFFFAOYSA-N
XLogP0.49
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 119450947) is 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCNC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GXAUSSZFMZKYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)8-2-1-7(10(19)17-8)9(18)16-6-3-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,18)(H,17,19).
What are the key properties of 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pyrrolidin-3-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119450947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).