N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H20F3N3O3 — CID 37250549

IUPACN-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-11(20-4-6-24-7-5-20)8-19-13(22)10-21-9-12(15(16,17)18)2-3-14(21)23/h2-3,9,11H,4-8,10H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyABHLHIDXYQUTKZ-NSHDSACASA-N
MW347.34 g/mol
LogP0.70
Rot. Bonds5

About N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 37250549) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID37250549
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC NameN-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESC[C@@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-11(20-4-6-24-7-5-20)8-19-13(22)10-21-9-12(15(16,17)18)2-3-14(21)23/h2-3,9,11H,4-8,10H2,1H3,(H,19,22)/t11-/m0/s1
InChIKeyABHLHIDXYQUTKZ-NSHDSACASA-N
XLogP0.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 37250549) is N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is C[C@@H](CNC(=O)Cn1cc(C(F)(F)F)ccc1=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is ABHLHIDXYQUTKZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-11(20-4-6-24-7-5-20)8-19-13(22)10-21-9-12(15(16,17)18)2-3-14(21)23/h2-3,9,11H,4-8,10H2,1H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 347.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-ylpropyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 37250549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).