(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide

C₁₈H₁₅N₃O₂ — CID 121198721

About (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide

(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide (PubChem CID 121198721) has the molecular formula C₁₈H₁₅N₃O₂ and a molecular weight of 305.34 g/mol. Its IUPAC name is (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
• PubChem CID: 121198721
• Molecular Formula: C₁₈H₁₅N₃O₂
• Molecular Weight: 305.34 g/mol
• Exact Mass: 305.12
• IUPAC Name: (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide
• SMILES: O=C(/C=C/c1ccccc1)NCc1nccnc1-c1ccco1
• InChI: InChI=1S/C18H15N3O2/c22-17(9-8-14-5-2-1-3-6-14)21-13-15-18(20-11-10-19-15)16-7-4-12-23-16/h1-12H,13H2,(H,21,22)/b9-8+
• InChIKey: WURKZRXMQUWPFN-CMDGGOBGSA-N
• XLogP: 3.07
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.34
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?

The IUPAC name of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide (CID 121198721) is (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide.

What is the SMILES notation for (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?

The canonical SMILES for (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1nccnc1-c1ccco1.

What is the InChIKey of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?

The InChIKey is WURKZRXMQUWPFN-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17(9-8-14-5-2-1-3-6-14)21-13-15-18(20-11-10-19-15)16-7-4-12-23-16/h1-12H,13H2,(H,21,22)/b9-8+.

What are the key properties of (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide?

(E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide has a molecular weight of 305.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 121198721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121198721 — identifiers, structure, computed properties (public domain)

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