N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide

C11H12F3N3O3 — CID 47360137

IUPACN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCOCC1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)7-5-8(9(18)15-6-7)16-10(19)17-1-3-20-4-2-17/h5-6H,1-4H2,(H,15,18)(H,16,19)
InChIKeyFKLFUIFWGRWCDB-UHFFFAOYSA-N
MW291.23 g/mol
LogP1.26
Rot. Bonds1

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide (PubChem CID 47360137) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
PubChem CID47360137
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC NameN-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCOCC1
InChIInChI=1S/C11H12F3N3O3/c12-11(13,14)7-5-8(9(18)15-6-7)16-10(19)17-1-3-20-4-2-17/h5-6H,1-4H2,(H,15,18)(H,16,19)
InChIKeyFKLFUIFWGRWCDB-UHFFFAOYSA-N
XLogP1.26
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide (CID 47360137) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N1CCOCC1.
What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
The InChIKey is FKLFUIFWGRWCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c12-11(13,14)7-5-8(9(18)15-6-7)16-10(19)17-1-3-20-4-2-17/h5-6H,1-4H2,(H,15,18)(H,16,19).
What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide?
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide has a molecular weight of 291.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 47360137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).