2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide

C19H22N6O6 — CID 163387394

About 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide

2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide (PubChem CID 163387394) has the molecular formula C19H22N6O6 and a molecular weight of 430.42 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide
• PubChem CID: 163387394
• Molecular Formula: C19H22N6O6
• Molecular Weight: 430.42 g/mol
• Exact Mass: 430.16
• IUPAC Name: 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide
• SMILES: CONC(=O)c1cnc(C(=O)NC2CC2)cc1Nc1cccc(C(=O)NNO)c1OC
• InChI: InChI=1S/C19H22N6O6/c1-30-16-11(17(26)23-25-29)4-3-5-13(16)22-14-8-15(19(28)21-10-6-7-10)20-9-12(14)18(27)24-31-2/h3-5,8-10,25,29H,6-7H2,1-2H3,(H,20,22)(H,21,28)(H,23,26)(H,24,27)
• InChIKey: SZZHRSGGFQJXBE-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 162.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.42
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide?

The IUPAC name of 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide (CID 163387394) is 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide.

What is the SMILES notation for 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide?

The canonical SMILES for 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide is CONC(=O)c1cnc(C(=O)NC2CC2)cc1Nc1cccc(C(=O)NNO)c1OC.

What is the InChIKey of 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide?

The InChIKey is SZZHRSGGFQJXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O6/c1-30-16-11(17(26)23-25-29)4-3-5-13(16)22-14-8-15(19(28)21-10-6-7-10)20-9-12(14)18(27)24-31-2/h3-5,8-10,25,29H,6-7H2,1-2H3,(H,20,22)(H,21,28)(H,23,26)(H,24,27).

What are the key properties of 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide?

2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide has a molecular weight of 430.42 g/mol, XLogP of 0.64, 9 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclopropyl-4-[3-[(hydroxyamino)carbamoyl]-2-methoxyanilino]-5-N-methoxypyridine-2,5-dicarboxamide is sourced from PubChem (CID 163387394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).