methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate

C17H17N7O4 — CID 69351627

IUPACmethyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N.COC(=O)c1nccnc1Nc1cccnc1
InChIInChI=1S/C11H10N4O2.C6H7N3O2/c1-17-11(16)9-10(14-6-5-13-9)15-8-3-2-4-12-7-8;1-11-6(10)4-5(7)9-3-2-8-4/h2-7H,1H3,(H,14,15);2-3H,1H3,(H2,7,9)
InChIKeyLMAIAFQOFXVUGZ-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.25
Rot. Bonds4

About methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate

methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate (PubChem CID 69351627) has the molecular formula C17H17N7O4 and a molecular weight of 383.37 g/mol. Its IUPAC name is methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate
PubChem CID69351627
Molecular FormulaC17H17N7O4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Namemethyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1N.COC(=O)c1nccnc1Nc1cccnc1
InChIInChI=1S/C11H10N4O2.C6H7N3O2/c1-17-11(16)9-10(14-6-5-13-9)15-8-3-2-4-12-7-8;1-11-6(10)4-5(7)9-3-2-8-4/h2-7H,1H3,(H,14,15);2-3H,1H3,(H2,7,9)
InChIKeyLMAIAFQOFXVUGZ-UHFFFAOYSA-N
XLogP1.25
TPSA155.10 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate (CID 69351627) is methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate is COC(=O)c1nccnc1N.COC(=O)c1nccnc1Nc1cccnc1.
What is the InChIKey of methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
The InChIKey is LMAIAFQOFXVUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2.C6H7N3O2/c1-17-11(16)9-10(14-6-5-13-9)15-8-3-2-4-12-7-8;1-11-6(10)4-5(7)9-3-2-8-4/h2-7H,1H3,(H,14,15);2-3H,1H3,(H2,7,9).
What are the key properties of methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate?
methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate has a molecular weight of 383.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminopyrazine-2-carboxylate;methyl 3-(pyridin-3-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 69351627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).