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

C12H12F3N3O3 — CID 62898672

IUPAC2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CN1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)8-3-2-7(11(21)18-8)10(20)17-6-1-4-9(19)16-5-6/h2-3,6H,1,4-5H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyZVNWESGFAUBXDQ-UHFFFAOYSA-N
MW303.24 g/mol
LogP0.40
Rot. Bonds2

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

2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 62898672) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID62898672
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CN1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)8-3-2-7(11(21)18-8)10(20)17-6-1-4-9(19)16-5-6/h2-3,6H,1,4-5H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyZVNWESGFAUBXDQ-UHFFFAOYSA-N
XLogP0.40
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 62898672) is 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CN1.
What is the InChIKey of 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ZVNWESGFAUBXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-12(14,15)8-3-2-7(11(21)18-8)10(20)17-6-1-4-9(19)16-5-6/h2-3,6H,1,4-5H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 303.24 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(6-oxopiperidin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62898672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).