(E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide

C12H15N3O2 — CID 90766145

IUPAC(E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide
SMILESCC/C(=C\C(C)=O)C(=O)Nc1cnc(C)cn1
InChIInChI=1S/C12H15N3O2/c1-4-10(5-9(3)16)12(17)15-11-7-13-8(2)6-14-11/h5-7H,4H2,1-3H3,(H,14,15,17)/b10-5+
InChIKeyATOBUUPNVSYTNS-BJMVGYQFSA-N
MW233.27 g/mol
LogP1.65
Rot. Bonds4

About (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide

(E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide (PubChem CID 90766145) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide
PubChem CID90766145
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide
SMILESCC/C(=C\C(C)=O)C(=O)Nc1cnc(C)cn1
InChIInChI=1S/C12H15N3O2/c1-4-10(5-9(3)16)12(17)15-11-7-13-8(2)6-14-11/h5-7H,4H2,1-3H3,(H,14,15,17)/b10-5+
InChIKeyATOBUUPNVSYTNS-BJMVGYQFSA-N
XLogP1.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide?
The IUPAC name of (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide (CID 90766145) is (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide.
What is the SMILES notation for (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide?
The canonical SMILES for (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide is CC/C(=C\C(C)=O)C(=O)Nc1cnc(C)cn1.
What is the InChIKey of (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide?
The InChIKey is ATOBUUPNVSYTNS-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-4-10(5-9(3)16)12(17)15-11-7-13-8(2)6-14-11/h5-7H,4H2,1-3H3,(H,14,15,17)/b10-5+.
What are the key properties of (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide?
(E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide has a molecular weight of 233.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-(5-methylpyrazin-2-yl)-4-oxopent-2-enamide is sourced from PubChem (CID 90766145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).