methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate

C14H10F3N3O3 — CID 86629411

IUPACmethyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2)nc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H10F3N3O3/c1-23-12(21)10-11(20-13(22)14(15,16)17)19-9(7-18-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,19,20,22)
InChIKeyOSVLBCGFEJDDOH-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.43
Rot. Bonds3

About methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate

methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate (PubChem CID 86629411) has the molecular formula C14H10F3N3O3 and a molecular weight of 325.25 g/mol. Its IUPAC name is methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate
PubChem CID86629411
Molecular FormulaC14H10F3N3O3
Molecular Weight325.25 g/mol
Exact Mass325.07
IUPAC Namemethyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2ccccc2)nc1NC(=O)C(F)(F)F
InChIInChI=1S/C14H10F3N3O3/c1-23-12(21)10-11(20-13(22)14(15,16)17)19-9(7-18-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,19,20,22)
InChIKeyOSVLBCGFEJDDOH-UHFFFAOYSA-N
XLogP2.43
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
CID 175789553
methyl 5-benzyl-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylate
CID 58882903
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
methyl 2-phenyl-5-[2-(2,2,2-trifluoroacetyl)hydrazinyl]-1,3-oxazole-4-carboxylate
CID 39868678
methyl 3-hydroxy-5-phenylpyridine-2-carboxylate
CID 16681140
methyl 7-amino-2-phenylthieno[2,3-b]pyrazine-6-carboxylate
CID 10684536
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
CID 170459078
methyl 5-methyl-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 841353
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
3-(methylamino)-6-phenylpyrazine-2-carboxamide
CID 10353723
2,2,2-trifluoro-N-(4-phenyl-2-quinoxalin-2-yl-1,3-thiazol-5-yl)acetamide
CID 89261160
methyl 6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 2323069

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate (CID 86629411) is methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate is COC(=O)c1ncc(-c2ccccc2)nc1NC(=O)C(F)(F)F.
What is the InChIKey of methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate?
The InChIKey is OSVLBCGFEJDDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3/c1-23-12(21)10-11(20-13(22)14(15,16)17)19-9(7-18-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,19,20,22).
What are the key properties of methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate?
methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate has a molecular weight of 325.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenyl-3-[(2,2,2-trifluoroacetyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 86629411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).