(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide

C15H20F3N3O3 — CID 95287089

IUPAC(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CCO1
InChIInChI=1S/C15H20F3N3O3/c1-2-12-9-21(5-6-23-12)14(22)20-8-11-3-4-19-13(7-11)24-10-15(16,17)18/h3-4,7,12H,2,5-6,8-10H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyNKLYPRBQUOKNRI-GFCCVEGCSA-N
MW347.34 g/mol
LogP2.34
Rot. Bonds5

About (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide

(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 95287089) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID95287089
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
SMILESCC[C@@H]1CN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CCO1
InChIInChI=1S/C15H20F3N3O3/c1-2-12-9-21(5-6-23-12)14(22)20-8-11-3-4-19-13(7-11)24-10-15(16,17)18/h3-4,7,12H,2,5-6,8-10H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyNKLYPRBQUOKNRI-GFCCVEGCSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide (CID 95287089) is (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide is CC[C@@H]1CN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CCO1.
What is the InChIKey of (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is NKLYPRBQUOKNRI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-2-12-9-21(5-6-23-12)14(22)20-8-11-3-4-19-13(7-11)24-10-15(16,17)18/h3-4,7,12H,2,5-6,8-10H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 95287089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).