N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C19H26F3N3O2 — CID 128854961

IUPACN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)cc(C)n1
InChIInChI=1S/C19H26F3N3O2/c1-13-9-15(10-14(2)24-13)11-23-17(26)25-6-3-16(19(20,21)22)18(12-25)4-7-27-8-5-18/h9-10,16H,3-8,11-12H2,1-2H3,(H,23,26)
InChIKeyAVECPYLMDLWBAT-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.59
Rot. Bonds2

About N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 128854961) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID128854961
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCc1cc(CNC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)cc(C)n1
InChIInChI=1S/C19H26F3N3O2/c1-13-9-15(10-14(2)24-13)11-23-17(26)25-6-3-16(19(20,21)22)18(12-25)4-7-27-8-5-18/h9-10,16H,3-8,11-12H2,1-2H3,(H,23,26)
InChIKeyAVECPYLMDLWBAT-UHFFFAOYSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide with MolForge

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128682445
N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128701518
(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 129348047
(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
CID 129347639
(1R,5S)-1-amino-N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016526
(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 97473932
2-(5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 128728176
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120
(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124855638
N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131651377
N-[(4-methylphenyl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 20907522
(4S)-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124844398

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 128854961) is N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is Cc1cc(CNC(=O)N2CCC(C(F)(F)F)C3(CCOCC3)C2)cc(C)n1.
What is the InChIKey of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is AVECPYLMDLWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-13-9-15(10-14(2)24-13)11-23-17(26)25-6-3-16(19(20,21)22)18(12-25)4-7-27-8-5-18/h9-10,16H,3-8,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 128854961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).