6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C11H13F3N2O2 — CID 60960097

IUPAC6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H13F3N2O2/c1-7(2)16(6-11(12,13)14)10(18)8-3-4-9(17)15-5-8/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyMOGMIDDKHUDYKC-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.79
Rot. Bonds3

About 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 60960097) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID60960097
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H13F3N2O2/c1-7(2)16(6-11(12,13)14)10(18)8-3-4-9(17)15-5-8/h3-5,7H,6H2,1-2H3,(H,15,17)
InChIKeyMOGMIDDKHUDYKC-UHFFFAOYSA-N
XLogP1.79
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 60960097) is 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MOGMIDDKHUDYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-7(2)16(6-11(12,13)14)10(18)8-3-4-9(17)15-5-8/h3-5,7H,6H2,1-2H3,(H,15,17).
What are the key properties of 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60960097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).