methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate

C16H13N3O2 — CID 68651564

IUPACmethyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3ccccc23)cnc1N
InChIInChI=1S/C16H13N3O2/c1-21-16(20)14-15(17)18-9-13(19-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18)
InChIKeyFKPIBLCCYKPUOE-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.67
Rot. Bonds2

About methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate

methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate (PubChem CID 68651564) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
PubChem CID68651564
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Namemethyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cccc3ccccc23)cnc1N
InChIInChI=1S/C16H13N3O2/c1-21-16(20)14-15(17)18-9-13(19-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18)
InChIKeyFKPIBLCCYKPUOE-UHFFFAOYSA-N
XLogP2.67
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate (CID 68651564) is methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate is COC(=O)c1nc(-c2cccc3ccccc23)cnc1N.
What is the InChIKey of methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate?
The InChIKey is FKPIBLCCYKPUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-16(20)14-15(17)18-9-13(19-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,18).
What are the key properties of methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate?
methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-naphthalen-1-ylpyrazine-2-carboxylate is sourced from PubChem (CID 68651564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).