N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C17H22F3N3O2 — CID 128701518

IUPACN-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)ccn1
InChIInChI=1S/C17H22F3N3O2/c1-12-10-13(2-6-21-12)22-15(24)23-7-3-14(17(18,19)20)16(11-23)4-8-25-9-5-16/h2,6,10,14H,3-5,7-9,11H2,1H3,(H,21,22,24)
InChIKeyYAGYLZJRBRSXGB-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.60
Rot. Bonds1

About N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 128701518) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID128701518
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC NameN-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCc1cc(NC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)ccn1
InChIInChI=1S/C17H22F3N3O2/c1-12-10-13(2-6-21-12)22-15(24)23-7-3-14(17(18,19)20)16(11-23)4-8-25-9-5-16/h2,6,10,14H,3-5,7-9,11H2,1H3,(H,21,22,24)
InChIKeyYAGYLZJRBRSXGB-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 128701518) is N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is Cc1cc(NC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is YAGYLZJRBRSXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-12-10-13(2-6-21-12)22-15(24)23-7-3-14(17(18,19)20)16(11-23)4-8-25-9-5-16/h2,6,10,14H,3-5,7-9,11H2,1H3,(H,21,22,24).
What are the key properties of N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 128701518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).