N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide

C17H23F3N4O2 — CID 155565443

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)CC(C)(C)N1
InChIInChI=1S/C17H23F3N4O2/c1-15(2)7-11(8-16(3,4)24-15)22-13(25)14(26)23-12-6-5-10(9-21-12)17(18,19)20/h5-6,9,11,24H,7-8H2,1-4H3,(H,22,25)(H,21,23,26)
InChIKeyRAELDUDAFQNWLA-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.46
Rot. Bonds2

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide (PubChem CID 155565443) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide
PubChem CID155565443
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)CC(C)(C)N1
InChIInChI=1S/C17H23F3N4O2/c1-15(2)7-11(8-16(3,4)24-15)22-13(25)14(26)23-12-6-5-10(9-21-12)17(18,19)20/h5-6,9,11,24H,7-8H2,1-4H3,(H,22,25)(H,21,23,26)
InChIKeyRAELDUDAFQNWLA-UHFFFAOYSA-N
XLogP2.46
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide (CID 155565443) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide is CC1(C)CC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cn2)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide?
The InChIKey is RAELDUDAFQNWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-15(2)7-11(8-16(3,4)24-15)22-13(25)14(26)23-12-6-5-10(9-21-12)17(18,19)20/h5-6,9,11,24H,7-8H2,1-4H3,(H,22,25)(H,21,23,26).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide has a molecular weight of 372.39 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-N'-[5-(trifluoromethyl)-2-pyridinyl]oxamide is sourced from PubChem (CID 155565443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).