N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide

C21H13F3N4O2 — CID 58154775

IUPACN-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)30-14-6-3-5-13(11-14)17-12-26-16-8-4-7-15(19(16)27-17)20(29)28-18-9-1-2-10-25-18/h1-12H,(H,25,28,29)
InChIKeyVGABPANGKWMSEN-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.84
Rot. Bonds4

About N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide

N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide (PubChem CID 58154775) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
PubChem CID58154775
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC NameN-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
SMILESO=C(Nc1ccccn1)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)30-14-6-3-5-13(11-14)17-12-26-16-8-4-7-15(19(16)27-17)20(29)28-18-9-1-2-10-25-18/h1-12H,(H,25,28,29)
InChIKeyVGABPANGKWMSEN-UHFFFAOYSA-N
XLogP4.84
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoxaline-5-carboxamide
CID 161355859
4-oxo-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]chromene-8-carboxamide
CID 58477365
N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
CID 58154508
2-(3-propan-2-yloxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 2220820
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631507
2-phenyl-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 58154708
3-fluoro-N-[6-[3-(trifluoromethoxy)phenyl]pyridazin-3-yl]pyridine-2-carboxamide
CID 178030034
N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58154674
2-chloro-N-pyridin-2-yl-3-(trifluoromethyl)quinoline-8-carboxamide
CID 87189922
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]quinoline-4-carboxylic acid
CID 162785666
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
The IUPAC name of N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide (CID 58154775) is N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide is O=C(Nc1ccccn1)c1cccc2ncc(-c3cccc(OC(F)(F)F)c3)nc12.
What is the InChIKey of N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
The InChIKey is VGABPANGKWMSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-21(23,24)30-14-6-3-5-13(11-14)17-12-26-16-8-4-7-15(19(16)27-17)20(29)28-18-9-1-2-10-25-18/h1-12H,(H,25,28,29).
What are the key properties of N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide?
N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide has a molecular weight of 410.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 58154775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).