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

C13H13F6N3O3 — CID 124918094

IUPAC(3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C13H13F6N3O3/c14-12(15,16)6-22-1-2-25-5-9(22)11(24)21-8-3-7(13(17,18)19)4-20-10(8)23/h3-4,9H,1-2,5-6H2,(H,20,23)(H,21,24)/t9-/m1/s1
InChIKeyNHBJIWMELFSWDX-SECBINFHSA-N
MW373.25 g/mol
LogP1.60
Rot. Bonds3

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

(3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 124918094) has the molecular formula C13H13F6N3O3 and a molecular weight of 373.25 g/mol. Its IUPAC name is (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID124918094
Molecular FormulaC13H13F6N3O3
Molecular Weight373.25 g/mol
Exact Mass373.09
IUPAC Name(3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1COCCN1CC(F)(F)F
InChIInChI=1S/C13H13F6N3O3/c14-12(15,16)6-22-1-2-25-5-9(22)11(24)21-8-3-7(13(17,18)19)4-20-10(8)23/h3-4,9H,1-2,5-6H2,(H,20,23)(H,21,24)/t9-/m1/s1
InChIKeyNHBJIWMELFSWDX-SECBINFHSA-N
XLogP1.60
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide
CID 47360137
3-Amino-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042169
N-[2-oxo-1-(4-oxooxan-3-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 157042420
N-[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 168075782
N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37250549
N-[(2R)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37250553
N-(2-morpholin-4-ylpropyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45812701
N-(1-morpholin-4-ylpropan-2-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 47035953
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1,4-dioxane-2-carboxamide
CID 47249052
N-(1-morpholin-4-ylpropan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 53505864
2-(2,6-dimethylmorpholin-4-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 53603189
2-(2-ethylmorpholin-4-yl)-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 53614328

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 124918094) is (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1COCCN1CC(F)(F)F.
What is the InChIKey of (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is NHBJIWMELFSWDX-SECBINFHSA-N. The full InChI is InChI=1S/C13H13F6N3O3/c14-12(15,16)6-22-1-2-25-5-9(22)11(24)21-8-3-7(13(17,18)19)4-20-10(8)23/h3-4,9H,1-2,5-6H2,(H,20,23)(H,21,24)/t9-/m1/s1.
What are the key properties of (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
(3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 124918094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).