(2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide

C15H20F3N3O2 — CID 136580795

IUPAC(2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccc(C(F)(F)F)cn2)C[C@H](C)O1
InChIInChI=1S/C15H20F3N3O2/c1-10-8-21(9-11(2)23-10)14(22)19-6-5-13-4-3-12(7-20-13)15(16,17)18/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,22)/t10-,11+
InChIKeyIZMLNGVNDQYQFY-PHIMTYICSA-N
MW331.34 g/mol
LogP2.46
Rot. Bonds3

About (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide

(2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide (PubChem CID 136580795) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide
PubChem CID136580795
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NCCc2ccc(C(F)(F)F)cn2)C[C@H](C)O1
InChIInChI=1S/C15H20F3N3O2/c1-10-8-21(9-11(2)23-10)14(22)19-6-5-13-4-3-12(7-20-13)15(16,17)18/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,22)/t10-,11+
InChIKeyIZMLNGVNDQYQFY-PHIMTYICSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide (CID 136580795) is (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide is C[C@@H]1CN(C(=O)NCCc2ccc(C(F)(F)F)cn2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide?
The InChIKey is IZMLNGVNDQYQFY-PHIMTYICSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-8-21(9-11(2)23-10)14(22)19-6-5-13-4-3-12(7-20-13)15(16,17)18/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,22)/t10-,11+.
What are the key properties of (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide?
(2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 136580795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).