(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate

C15H14N2O3 — CID 16578129

IUPAC(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C)C(=O)c2ccccc2)cn1
InChIInChI=1S/C15H14N2O3/c1-10-8-17-13(9-16-10)15(19)20-11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyFMCVZJTVYMVIIW-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.21
Rot. Bonds4

About (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate

(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate (PubChem CID 16578129) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate
PubChem CID16578129
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OC(C)C(=O)c2ccccc2)cn1
InChIInChI=1S/C15H14N2O3/c1-10-8-17-13(9-16-10)15(19)20-11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyFMCVZJTVYMVIIW-UHFFFAOYSA-N
XLogP2.21
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7760637
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950036
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950058
[1-(4-fluoroanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 18078044
(1-oxo-1-phenylpropan-2-yl) 6-chloropyridine-3-carboxylate
CID 55313890
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 2637976
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950097
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 6915447
[1-(4-methylphenyl)-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 42900672
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7760510
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950106
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7985728

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate (CID 16578129) is (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OC(C)C(=O)c2ccccc2)cn1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate?
The InChIKey is FMCVZJTVYMVIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-8-17-13(9-16-10)15(19)20-11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate?
(1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 16578129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).