3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane

C26H30N8O3 — CID 143235510

About 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane

3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane (PubChem CID 143235510) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane.

Molecular Properties

• Compound Name: 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane
• PubChem CID: 143235510
• Molecular Formula: C26H30N8O3
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.24
• IUPAC Name: 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane
• SMILES: CC.CCC.[H]/N=C1\OCCN1c1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(C#N)cn2)cc1
• InChI: InChI=1S/C21H16N8O3.C3H8.C2H6/c22-11-13-1-6-16(26-12-13)28-20(31)18-17(24-7-8-25-18)19(30)27-14-2-4-15(5-3-14)29-9-10-32-21(29)23;1-3-2;1-2/h1-8,12,23H,9-10H2,(H,27,30)(H,26,28,31);3H2,1-2H3;1-2H3/b23-21-
• InChIKey: XMYHMXHRQYGUID-MXOKZSFASA-N
• XLogP: 4.46
• TPSA: 156.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane?

The IUPAC name of 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane (CID 143235510) is 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane.

What is the SMILES notation for 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane?

The canonical SMILES for 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane is CC.CCC.[H]/N=C1\OCCN1c1ccc(NC(=O)c2nccnc2C(=O)Nc2ccc(C#N)cn2)cc1.

What is the InChIKey of 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane?

The InChIKey is XMYHMXHRQYGUID-MXOKZSFASA-N. The full InChI is InChI=1S/C21H16N8O3.C3H8.C2H6/c22-11-13-1-6-16(26-12-13)28-20(31)18-17(24-7-8-25-18)19(30)27-14-2-4-15(5-3-14)29-9-10-32-21(29)23;1-3-2;1-2/h1-8,12,23H,9-10H2,(H,27,30)(H,26,28,31);3H2,1-2H3;1-2H3/b23-21-;;.

What are the key properties of 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane?

3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane has a molecular weight of 502.58 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(5-cyano-2-pyridinyl)-2-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]pyrazine-2,3-dicarboxamide;ethane;propane is sourced from PubChem (CID 143235510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).