About 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide
1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide (PubChem CID 162370883) has the molecular formula C22H30N4O9
and a molecular weight of 494.50 g/mol. Its IUPAC name is 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide.
Molecular Properties
| Compound Name | 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide |
|---|
| PubChem CID | 162370883 |
|---|
| Molecular Formula | C22H30N4O9 |
|---|
| Molecular Weight | 494.50 g/mol |
|---|
| Exact Mass | 494.20 |
|---|
| IUPAC Name | 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide |
|---|
| SMILES | O=C(NCCCOCCOCCOCCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O |
|---|
| InChI | InChI=1S/C22H30N4O9/c27-19-7-1-5-17(25(19)31)21(29)23-9-3-11-33-13-15-35-16-14-34-12-4-10-24-22(30)18-6-2-8-20(28)26(18)32/h1-2,5-8,31-32H,3-4,9-16H2,(H,23,29)(H,24,30) |
|---|
| InChIKey | MFCUDSFBILYLLO-UHFFFAOYSA-N |
|---|
| XLogP | -0.53 |
|---|
| TPSA | 170.35 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 16 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 494.50 |
| LogP ≤ 5 | -0.53 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'} |
|---|
Analyze 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide (CID 162370883) is 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide is O=C(NCCCOCCOCCOCCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.
What is the InChIKey of 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide?
The InChIKey is MFCUDSFBILYLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O9/c27-19-7-1-5-17(25(19)31)21(29)23-9-3-11-33-13-15-35-16-14-34-12-4-10-24-22(30)18-6-2-8-20(28)26(18)32/h1-2,5-8,31-32H,3-4,9-16H2,(H,23,29)(H,24,30).
What are the key properties of 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide has a molecular weight of 494.50 g/mol, XLogP of -0.53, 16 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[3-[2-[2-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 162370883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).