N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide

C15H17F3N2O2 — CID 178036109

IUPACN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)C1CC2(CC2)C1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)9-22-12-5-10(1-4-19-12)8-20-13(21)11-6-14(7-11)2-3-14/h1,4-5,11H,2-3,6-9H2,(H,20,21)
InChIKeyCUETUTSIEACNMD-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.83
Rot. Bonds5

About N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide

N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide (PubChem CID 178036109) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
PubChem CID178036109
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)C1CC2(CC2)C1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)9-22-12-5-10(1-4-19-12)8-20-13(21)11-6-14(7-11)2-3-14/h1,4-5,11H,2-3,6-9H2,(H,20,21)
InChIKeyCUETUTSIEACNMD-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847050
2-(4-hydroxyoxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171786984
1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501753
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787055
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide
CID 55689268
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide (CID 178036109) is N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide is O=C(NCc1ccnc(OCC(F)(F)F)c1)C1CC2(CC2)C1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide?
The InChIKey is CUETUTSIEACNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)9-22-12-5-10(1-4-19-12)8-20-13(21)11-6-14(7-11)2-3-14/h1,4-5,11H,2-3,6-9H2,(H,20,21).
What are the key properties of N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide?
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide is sourced from PubChem (CID 178036109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).