N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide

C16H19F3N2O2 — CID 139007140

IUPACN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)nc1)C1CC12CCCC2
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)10-23-13-4-3-11(8-20-13)9-21-14(22)12-7-15(12)5-1-2-6-15/h3-4,8,12H,1-2,5-7,9-10H2,(H,21,22)
InChIKeyPUZBQGKFXYSFPO-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.22
Rot. Bonds5

About N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide

N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide (PubChem CID 139007140) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide
PubChem CID139007140
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide
SMILESO=C(NCc1ccc(OCC(F)(F)F)nc1)C1CC12CCCC2
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)10-23-13-4-3-11(8-20-13)9-21-14(22)12-7-15(12)5-1-2-6-15/h3-4,8,12H,1-2,5-7,9-10H2,(H,21,22)
InChIKeyPUZBQGKFXYSFPO-UHFFFAOYSA-N
XLogP3.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
1-[2,6-dichloro-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 130274741
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
methyl 1-[N'-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254225
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide
CID 78872024
N',3,5-trimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111154600
(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492624

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide (CID 139007140) is N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide is O=C(NCc1ccc(OCC(F)(F)F)nc1)C1CC12CCCC2.
What is the InChIKey of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide?
The InChIKey is PUZBQGKFXYSFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)10-23-13-4-3-11(8-20-13)9-21-14(22)12-7-15(12)5-1-2-6-15/h3-4,8,12H,1-2,5-7,9-10H2,(H,21,22).
What are the key properties of N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide?
N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 139007140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).