(2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate

C18H14N2O3 — CID 24687449

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C18H14N2O3/c1-12-9-20-16(10-19-12)18(22)23-11-17(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3
InChIKeyDPUKCWQGXHHTEE-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.98
Rot. Bonds4

About (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate

(2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate (PubChem CID 24687449) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate
PubChem CID24687449
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate
SMILESCc1cnc(C(=O)OCC(=O)c2cccc3ccccc23)cn1
InChIInChI=1S/C18H14N2O3/c1-12-9-20-16(10-19-12)18(22)23-11-17(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3
InChIKeyDPUKCWQGXHHTEE-UHFFFAOYSA-N
XLogP2.98
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate (CID 24687449) is (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate is Cc1cnc(C(=O)OCC(=O)c2cccc3ccccc23)cn1.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
The InChIKey is DPUKCWQGXHHTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-12-9-20-16(10-19-12)18(22)23-11-17(21)15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3.
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate?
(2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-2-oxoethyl) 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 24687449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).