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

C13H17F3N2O2 — CID 60959738

IUPAC6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17F3N2O2/c1-3-10(4-2)18(8-13(14,15)16)12(20)9-5-6-11(19)17-7-9/h5-7,10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyQMFZVGUGUFRVKR-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.57
Rot. Bonds5

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

6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 60959738) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID60959738
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17F3N2O2/c1-3-10(4-2)18(8-13(14,15)16)12(20)9-5-6-11(19)17-7-9/h5-7,10H,3-4,8H2,1-2H3,(H,17,19)
InChIKeyQMFZVGUGUFRVKR-UHFFFAOYSA-N
XLogP2.57
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 60959738) is 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is QMFZVGUGUFRVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-10(4-2)18(8-13(14,15)16)12(20)9-5-6-11(19)17-7-9/h5-7,10H,3-4,8H2,1-2H3,(H,17,19).
What are the key properties of 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60959738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).