(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide

C15H20F3N3O3 — CID 100689737

IUPAC(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccncc2OCC(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C15H20F3N3O3/c1-10-7-21(8-11(2)24-10)14(22)20-5-12-3-4-19-6-13(12)23-9-15(16,17)18/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,20,22)/t10-,11+
InChIKeyKXKFNVVREAKTNL-PHIMTYICSA-N
MW347.34 g/mol
LogP2.34
Rot. Bonds4

About (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide

(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 100689737) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID100689737
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccncc2OCC(F)(F)F)C[C@H](C)O1
InChIInChI=1S/C15H20F3N3O3/c1-10-7-21(8-11(2)24-10)14(22)20-5-12-3-4-19-6-13(12)23-9-15(16,17)18/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,20,22)/t10-,11+
InChIKeyKXKFNVVREAKTNL-PHIMTYICSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

4-methyl-3-oxo-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 100689686
N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]oxazinane-2-carboxamide
CID 136541053
(3S,4S)-1-[(3-ethyl-4-pyridinyl)methylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122009451
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
N-[(4-tert-butyl-3-pyridinyl)methyl]-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
CID 128735144
N-[[3-(3,3-dimethylbutoxy)-4-pyridinyl]methyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
CID 126799159
(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 35669651
2,6-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51291268
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide (CID 100689737) is (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCc2ccncc2OCC(F)(F)F)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is KXKFNVVREAKTNL-PHIMTYICSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-10-7-21(8-11(2)24-10)14(22)20-5-12-3-4-19-6-13(12)23-9-15(16,17)18/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,20,22)/t10-,11+.
What are the key properties of (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide?
(2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-N-[[3-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 100689737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).