N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide

C₁₅H₁₁N₅O — CID 9194647

About N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide

N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide (PubChem CID 9194647) has the molecular formula C₁₅H₁₁N₅O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
• PubChem CID: 9194647
• Molecular Formula: C₁₅H₁₁N₅O
• Molecular Weight: 277.29 g/mol
• Exact Mass: 277.10
• IUPAC Name: N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide
• SMILES: O=C(N/N=C\c1cnc2ccccc2n1)c1ccccn1
• InChI: InChI=1S/C15H11N5O/c21-15(14-7-3-4-8-16-14)20-18-10-11-9-17-12-5-1-2-6-13(12)19-11/h1-10H,(H,20,21)/b18-10-
• InChIKey: LMAXMJHGNHJHRN-ZDLGFXPLSA-N
• XLogP: 1.79
• TPSA: 80.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.29
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide?

The IUPAC name of N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide (CID 9194647) is N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide.

What is the SMILES notation for N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide?

The canonical SMILES for N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide is O=C(N/N=C\c1cnc2ccccc2n1)c1ccccn1.

What is the InChIKey of N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide?

The InChIKey is LMAXMJHGNHJHRN-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H11N5O/c21-15(14-7-3-4-8-16-14)20-18-10-11-9-17-12-5-1-2-6-13(12)19-11/h1-10H,(H,20,21)/b18-10-.

What are the key properties of N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide?

N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-quinoxalin-2-ylmethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9194647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 9194647 — identifiers, structure, computed properties (public domain)

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