(2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide

C15H20F3N3O3 — CID 121346609

IUPAC(2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide
SMILESCC(C)(COc1cnccc1C(F)(F)F)NC(=O)[C@@H]1CNCCO1
InChIInChI=1S/C15H20F3N3O3/c1-14(2,21-13(22)12-8-20-5-6-23-12)9-24-11-7-19-4-3-10(11)15(16,17)18/h3-4,7,12,20H,5-6,8-9H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyFRLSRWUUFKGTRD-LBPRGKRZSA-N
MW347.34 g/mol
LogP1.36
Rot. Bonds5

About (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide

(2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide (PubChem CID 121346609) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide
PubChem CID121346609
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide
SMILESCC(C)(COc1cnccc1C(F)(F)F)NC(=O)[C@@H]1CNCCO1
InChIInChI=1S/C15H20F3N3O3/c1-14(2,21-13(22)12-8-20-5-6-23-12)9-24-11-7-19-4-3-10(11)15(16,17)18/h3-4,7,12,20H,5-6,8-9H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyFRLSRWUUFKGTRD-LBPRGKRZSA-N
XLogP1.36
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide (CID 121346609) is (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide is CC(C)(COc1cnccc1C(F)(F)F)NC(=O)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide?
The InChIKey is FRLSRWUUFKGTRD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-14(2,21-13(22)12-8-20-5-6-23-12)9-24-11-7-19-4-3-10(11)15(16,17)18/h3-4,7,12,20H,5-6,8-9H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide?
(2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 121346609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).