1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide

C19H18F3N3O2 — CID 154764068

IUPAC1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)N1CC2CC1(c1ccccc1)C2
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)12-27-16-7-6-15(10-23-16)24-17(26)25-11-13-8-18(25,9-13)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,24,26)
InChIKeyUMGLGLSYMHSRBI-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.18
Rot. Bonds4

About 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide

1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide (PubChem CID 154764068) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
PubChem CID154764068
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
SMILESO=C(Nc1ccc(OCC(F)(F)F)nc1)N1CC2CC1(c1ccccc1)C2
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)12-27-16-7-6-15(10-23-16)24-17(26)25-11-13-8-18(25,9-13)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,24,26)
InChIKeyUMGLGLSYMHSRBI-UHFFFAOYSA-N
XLogP4.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide with MolForge

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Related Compounds

4-benzamido-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 47041270
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]morpholine-4-carboxamide
CID 47041273
3-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 63139677
4-(4-fluorobenzoyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 112829411
ethyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 61067882
tert-butyl N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]carbamate
CID 65142733
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-1-carboxamide
CID 128998957
2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 79285571
1-(furan-2-ylmethyl)-5-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55714338
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
3-amino-2-methyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 62669799

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
The IUPAC name of 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide (CID 154764068) is 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide.
What is the SMILES notation for 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
The canonical SMILES for 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide is O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CC2CC1(c1ccccc1)C2.
What is the InChIKey of 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
The InChIKey is UMGLGLSYMHSRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)12-27-16-7-6-15(10-23-16)24-17(26)25-11-13-8-18(25,9-13)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,24,26).
What are the key properties of 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide is sourced from PubChem (CID 154764068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).