pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate

C11H10N4O2 — CID 43053880

IUPACpyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCc1ccccn1
InChIInChI=1S/C11H10N4O2/c12-10-9(14-5-6-15-10)11(16)17-7-8-3-1-2-4-13-8/h1-6H,7H2,(H2,12,15)
InChIKeyKEILMLKYZRRKQI-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.81
Rot. Bonds3

About pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate

pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate (PubChem CID 43053880) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate
PubChem CID43053880
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Namepyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate
SMILESNc1nccnc1C(=O)OCc1ccccn1
InChIInChI=1S/C11H10N4O2/c12-10-9(14-5-6-15-10)11(16)17-7-8-3-1-2-4-13-8/h1-6H,7H2,(H2,12,15)
InChIKeyKEILMLKYZRRKQI-UHFFFAOYSA-N
XLogP0.81
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate (CID 43053880) is pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate is Nc1nccnc1C(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate?
The InChIKey is KEILMLKYZRRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-10-9(14-5-6-15-10)11(16)17-7-8-3-1-2-4-13-8/h1-6H,7H2,(H2,12,15).
What are the key properties of pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate?
pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate has a molecular weight of 230.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 43053880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).