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

C16H20F3N3O2 — CID 86293884

IUPAC(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccncc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H20F3N3O2/c1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-3-4-20-7-11(12)16(17,18)19/h3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t9-,10+,13?
InChIKeyFEEWKCJHKQVISW-HWYHXSKPSA-N
MW343.35 g/mol
LogP1.84
Rot. Bonds5

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

(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86293884) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86293884
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccncc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H20F3N3O2/c1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-3-4-20-7-11(12)16(17,18)19/h3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t9-,10+,13?
InChIKeyFEEWKCJHKQVISW-HWYHXSKPSA-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 (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-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 48
CID 86294246
US10166214, Example 52
CID 117709156
US10166214, Example 63
CID 117709159
US11045457, Example 43
CID 146402112
US10166214, Example 38
CID 86294062
US10166214, Example 44
CID 86294249
US10166214, Example 57
CID 86294654
US10166214, Example 64
CID 86294655
(2S)-2-amino-4-methyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)pentan-1-one
CID 91647216
(2S)-2-amino-3-methyl-1-[4-[3-(trifluoromethyl)pyridin-4-yl]oxypiperidin-1-yl]butan-1-one;dihydrochloride
CID 67530658

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86293884) is (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(COc1ccncc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is FEEWKCJHKQVISW-HWYHXSKPSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-3-4-20-7-11(12)16(17,18)19/h3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t9-,10+,13?.
What are the key properties of (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-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 (1R,5S)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86293884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).