(2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate

C17H12N2O3 — CID 887578

IUPAC(2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12N2O3/c20-16(11-22-17(21)15-10-18-7-8-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2
InChIKeyTWFIXVKOSHDGPY-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.67
Rot. Bonds4

About (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate

(2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate (PubChem CID 887578) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate
PubChem CID887578
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate
SMILESO=C(COC(=O)c1cnccn1)c1ccc2ccccc2c1
InChIInChI=1S/C17H12N2O3/c20-16(11-22-17(21)15-10-18-7-8-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2
InChIKeyTWFIXVKOSHDGPY-UHFFFAOYSA-N
XLogP2.67
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate (CID 887578) is (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate is O=C(COC(=O)c1cnccn1)c1ccc2ccccc2c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate?
The InChIKey is TWFIXVKOSHDGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16(11-22-17(21)15-10-18-7-8-19-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2.
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate?
(2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) pyrazine-2-carboxylate is sourced from PubChem (CID 887578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).