N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide

C13H16F3N3O3 — CID 167973130

IUPACN-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESCCn1c(C(F)(F)F)ccc(NC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-2-19-10(13(14,15)16)4-3-9(11(19)20)17-12(21)18-5-7-22-8-6-18/h3-4H,2,5-8H2,1H3,(H,17,21)
InChIKeyAKTPCEIWSIUVEY-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.75
Rot. Bonds2

About N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide

N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 167973130) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
PubChem CID167973130
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
SMILESCCn1c(C(F)(F)F)ccc(NC(=O)N2CCOCC2)c1=O
InChIInChI=1S/C13H16F3N3O3/c1-2-19-10(13(14,15)16)4-3-9(11(19)20)17-12(21)18-5-7-22-8-6-18/h3-4H,2,5-8H2,1H3,(H,17,21)
InChIKeyAKTPCEIWSIUVEY-UHFFFAOYSA-N
XLogP1.75
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide (CID 167973130) is N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide is CCn1c(C(F)(F)F)ccc(NC(=O)N2CCOCC2)c1=O.
What is the InChIKey of N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is AKTPCEIWSIUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-2-19-10(13(14,15)16)4-3-9(11(19)20)17-12(21)18-5-7-22-8-6-18/h3-4H,2,5-8H2,1H3,(H,17,21).
What are the key properties of N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide?
N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 167973130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).