4-[6-(ethylamino)pyrazin-2-yl]benzamide

C13H14N4O — CID 6482688

IUPAC4-[6-(ethylamino)pyrazin-2-yl]benzamide
SMILESCCNc1cncc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H14N4O/c1-2-16-12-8-15-7-11(17-12)9-3-5-10(6-4-9)13(14)18/h3-8H,2H2,1H3,(H2,14,18)(H,16,17)
InChIKeyCGXLJDXCJZFCMS-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.67
Rot. Bonds4

About 4-[6-(ethylamino)pyrazin-2-yl]benzamide

4-[6-(ethylamino)pyrazin-2-yl]benzamide (PubChem CID 6482688) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[6-(ethylamino)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-(ethylamino)pyrazin-2-yl]benzamide
PubChem CID6482688
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-[6-(ethylamino)pyrazin-2-yl]benzamide
SMILESCCNc1cncc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H14N4O/c1-2-16-12-8-15-7-11(17-12)9-3-5-10(6-4-9)13(14)18/h3-8H,2H2,1H3,(H2,14,18)(H,16,17)
InChIKeyCGXLJDXCJZFCMS-UHFFFAOYSA-N
XLogP1.67
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)pyrazin-2-yl]benzamide?
The IUPAC name of 4-[6-(ethylamino)pyrazin-2-yl]benzamide (CID 6482688) is 4-[6-(ethylamino)pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[6-(ethylamino)pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[6-(ethylamino)pyrazin-2-yl]benzamide is CCNc1cncc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[6-(ethylamino)pyrazin-2-yl]benzamide?
The InChIKey is CGXLJDXCJZFCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-16-12-8-15-7-11(17-12)9-3-5-10(6-4-9)13(14)18/h3-8H,2H2,1H3,(H2,14,18)(H,16,17).
What are the key properties of 4-[6-(ethylamino)pyrazin-2-yl]benzamide?
4-[6-(ethylamino)pyrazin-2-yl]benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)pyrazin-2-yl]benzamide is sourced from PubChem (CID 6482688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).