N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide

C11H12F3N3O3 — CID 124652117

IUPACN-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
SMILESC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H12F3N3O3/c1-6(18)4-16-9(19)10(20)17-7-2-3-8(15-5-7)11(12,13)14/h2-3,5-6,18H,4H2,1H3,(H,16,19)(H,17,20)/t6-/m1/s1
InChIKeyOTKMACAUEULYCS-ZCFIWIBFSA-N
MW291.23 g/mol
LogP0.54
Rot. Bonds3

About N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide

N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide (PubChem CID 124652117) has the molecular formula C11H12F3N3O3 and a molecular weight of 291.23 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
PubChem CID124652117
Molecular FormulaC11H12F3N3O3
Molecular Weight291.23 g/mol
Exact Mass291.08
IUPAC NameN-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
SMILESC[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H12F3N3O3/c1-6(18)4-16-9(19)10(20)17-7-2-3-8(15-5-7)11(12,13)14/h2-3,5-6,18H,4H2,1H3,(H,16,19)(H,17,20)/t6-/m1/s1
InChIKeyOTKMACAUEULYCS-ZCFIWIBFSA-N
XLogP0.54
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)-3-pyridinyl]carbamoylamino]propanoic acid
CID 107840757
N-(2-hydroxypropyl)-N'-(4-sulfamoylphenyl)oxamide
CID 108508709
N'-(1-cyanopropan-2-yl)-N'-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 119044033
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 51971203
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
2-methyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]butan-2-ol
CID 82811107
N-(1-ethylpyrazol-4-yl)-N'-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]oxamide
CID 167919378

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide (CID 124652117) is N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide is C[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
The InChIKey is OTKMACAUEULYCS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12F3N3O3/c1-6(18)4-16-9(19)10(20)17-7-2-3-8(15-5-7)11(12,13)14/h2-3,5-6,18H,4H2,1H3,(H,16,19)(H,17,20)/t6-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide?
N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide has a molecular weight of 291.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide is sourced from PubChem (CID 124652117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).