(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C16H20F3N3O2 — CID 144745325

IUPAC(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1cnccc1C(F)(F)F)NC(=O)C1C2CNC[C@@H]21
InChIInChI=1S/C16H20F3N3O2/c1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-7-20-4-3-11(12)16(17,18)19/h3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t9-,10?,13?/m0/s1
InChIKeyUVQOAIKFJAHEPD-JBLZRFIASA-N
MW343.35 g/mol
LogP1.84
Rot. Bonds5

About (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 144745325) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID144745325
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1cnccc1C(F)(F)F)NC(=O)C1C2CNC[C@@H]21
InChIInChI=1S/C16H20F3N3O2/c1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-7-20-4-3-11(12)16(17,18)19/h3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t9-,10?,13?/m0/s1
InChIKeyUVQOAIKFJAHEPD-JBLZRFIASA-N
XLogP1.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

rac-(1R,5S,6R)-N-{2-methyl-1-[(3-methylpyridin-2-yl)oxy]propan-2-yl}-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294067
US10166214, Example 18
CID 86293510
US10166214, Example 36
CID 86293884
US10166214, Example 48
CID 86294246
US10166214, Example 52
CID 117709156
US10166214, Example 63
CID 117709159
US10071974, Example 9
CID 121346609
US10071974, Example 4
CID 121346654
US11045457, Example 42
CID 146402385
1-(2-fluorobenzyl)-6-oxo-N-[2-(3-pyridinyloxy)ethyl]-3-piperidinecarboxamide
CID 24794314
US10166214, Example 38
CID 86294062
US10166214, Example 44
CID 86294249

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 144745325) is (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(COc1cnccc1C(F)(F)F)NC(=O)C1C2CNC[C@@H]21.
What is the InChIKey of (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is UVQOAIKFJAHEPD-JBLZRFIASA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-7-20-4-3-11(12)16(17,18)19/h3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t9-,10?,13?/m0/s1.
What are the key properties of (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 144745325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).