N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide

C18H15F3N4O2 — CID 67290537

IUPACN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H15F3N4O2/c1-11(13-7-6-12(8-22-13)27-10-18(19,20)21)24-17(26)16-9-23-14-4-2-3-5-15(14)25-16/h2-9,11H,10H2,1H3,(H,24,26)/t11-/m1/s1
InChIKeyWPQCXFKFOHAHEF-LLVKDONJSA-N
MW376.34 g/mol
LogP3.46
Rot. Bonds5

About N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide

N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide (PubChem CID 67290537) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
PubChem CID67290537
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
SMILESC[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H15F3N4O2/c1-11(13-7-6-12(8-22-13)27-10-18(19,20)21)24-17(26)16-9-23-14-4-2-3-5-15(14)25-16/h2-9,11H,10H2,1H3,(H,24,26)/t11-/m1/s1
InChIKeyWPQCXFKFOHAHEF-LLVKDONJSA-N
XLogP3.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide
CID 67289119
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 87342724
(2R,3R)-2-methyl-3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]butanamide
CID 118507128
2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
3-quinolin-2-yl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]prop-2-enamide
CID 67291373
2-(4-phenoxyphenoxy)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290582
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 87342000
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide (CID 67290537) is N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide is C[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide?
The InChIKey is WPQCXFKFOHAHEF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-11(13-7-6-12(8-22-13)27-10-18(19,20)21)24-17(26)16-9-23-14-4-2-3-5-15(14)25-16/h2-9,11H,10H2,1H3,(H,24,26)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide?
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 67290537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).