3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide

C15H19F3N2O2 — CID 178036152

IUPAC3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCC1(C)CC(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O2/c1-14(2)6-11(7-14)13(21)20-8-10-3-4-19-12(5-10)22-9-15(16,17)18/h3-5,11H,6-9H2,1-2H3,(H,20,21)
InChIKeyMQBPXVPJCKLPHR-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.08
Rot. Bonds5

About 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide

3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide (PubChem CID 178036152) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
PubChem CID178036152
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
SMILESCC1(C)CC(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1
InChIInChI=1S/C15H19F3N2O2/c1-14(2)6-11(7-14)13(21)20-8-10-3-4-19-12(5-10)22-9-15(16,17)18/h3-5,11H,6-9H2,1-2H3,(H,20,21)
InChIKeyMQBPXVPJCKLPHR-UHFFFAOYSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
1-(1-bicyclo[1.1.1]pentanyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 162524382
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
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501753
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-2-carboxamide
CID 119847050
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501591
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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide (CID 178036152) is 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide is CC1(C)CC(C(=O)NCc2ccnc(OCC(F)(F)F)c2)C1.
What is the InChIKey of 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is MQBPXVPJCKLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-14(2)6-11(7-14)13(21)20-8-10-3-4-19-12(5-10)22-9-15(16,17)18/h3-5,11H,6-9H2,1-2H3,(H,20,21).
What are the key properties of 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide?
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 178036152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).