6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide

C13H14F3N3O3 — CID 127391213

IUPAC6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(CC(F)(F)F)C2=O)c[nH]1
InChIInChI=1S/C13H14F3N3O3/c1-7-4-10(20)8(5-17-7)11(21)18-9-2-3-19(12(9)22)6-13(14,15)16/h4-5,9H,2-3,6H2,1H3,(H,17,20)(H,18,21)
InChIKeyYTIOSRLARGUSDW-UHFFFAOYSA-N
MW317.27 g/mol
LogP0.58
Rot. Bonds3

About 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide (PubChem CID 127391213) has the molecular formula C13H14F3N3O3 and a molecular weight of 317.27 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
PubChem CID127391213
Molecular FormulaC13H14F3N3O3
Molecular Weight317.27 g/mol
Exact Mass317.10
IUPAC Name6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(CC(F)(F)F)C2=O)c[nH]1
InChIInChI=1S/C13H14F3N3O3/c1-7-4-10(20)8(5-17-7)11(21)18-9-2-3-19(12(9)22)6-13(14,15)16/h4-5,9H,2-3,6H2,1H3,(H,17,20)(H,18,21)
InChIKeyYTIOSRLARGUSDW-UHFFFAOYSA-N
XLogP0.58
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide (CID 127391213) is 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCN(CC(F)(F)F)C2=O)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
The InChIKey is YTIOSRLARGUSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3/c1-7-4-10(20)8(5-17-7)11(21)18-9-2-3-19(12(9)22)6-13(14,15)16/h4-5,9H,2-3,6H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide has a molecular weight of 317.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 127391213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).