3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide

C13H14N4O2 — CID 10015369

IUPAC3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1cccc(-c2cnc(N)c(C(N)=O)n2)c1
InChIInChI=1S/C13H14N4O2/c1-2-19-9-5-3-4-8(6-9)10-7-16-12(14)11(17-10)13(15)18/h3-7H,2H2,1H3,(H2,14,16)(H2,15,18)
InChIKeyNVFNVJCASOBYQO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.22
Rot. Bonds4

About 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide

3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 10015369) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID10015369
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1cccc(-c2cnc(N)c(C(N)=O)n2)c1
InChIInChI=1S/C13H14N4O2/c1-2-19-9-5-3-4-8(6-9)10-7-16-12(14)11(17-10)13(15)18/h3-7H,2H2,1H3,(H2,14,16)(H2,15,18)
InChIKeyNVFNVJCASOBYQO-UHFFFAOYSA-N
XLogP1.22
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide (CID 10015369) is 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1cccc(-c2cnc(N)c(C(N)=O)n2)c1.
What is the InChIKey of 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is NVFNVJCASOBYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-19-9-5-3-4-8(6-9)10-7-16-12(14)11(17-10)13(15)18/h3-7H,2H2,1H3,(H2,14,16)(H2,15,18).
What are the key properties of 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide?
3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 10015369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).