1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide

C16H18N4O7 — CID 59148981

IUPAC1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCOCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C16H18N4O7/c21-13-5-1-3-11(19(13)25)15(23)17-7-9-27-10-8-18-16(24)12-4-2-6-14(22)20(12)26/h1-6,25-26H,7-10H2,(H,17,23)(H,18,24)
InChIKeyCPYNOZVPXTXSTE-UHFFFAOYSA-N
MW378.34 g/mol
LogP-1.34
Rot. Bonds8

About 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide

1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide (PubChem CID 59148981) has the molecular formula C16H18N4O7 and a molecular weight of 378.34 g/mol. Its IUPAC name is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide
PubChem CID59148981
Molecular FormulaC16H18N4O7
Molecular Weight378.34 g/mol
Exact Mass378.12
IUPAC Name1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide
SMILESO=C(NCCOCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C16H18N4O7/c21-13-5-1-3-11(19(13)25)15(23)17-7-9-27-10-8-18-16(24)12-4-2-6-14(22)20(12)26/h1-6,25-26H,7-10H2,(H,17,23)(H,18,24)
InChIKeyCPYNOZVPXTXSTE-UHFFFAOYSA-N
XLogP-1.34
TPSA151.89 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide (CID 59148981) is 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide is O=C(NCCOCCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.
What is the InChIKey of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide?
The InChIKey is CPYNOZVPXTXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O7/c21-13-5-1-3-11(19(13)25)15(23)17-7-9-27-10-8-18-16(24)12-4-2-6-14(22)20(12)26/h1-6,25-26H,7-10H2,(H,17,23)(H,18,24).
What are the key properties of 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide?
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide has a molecular weight of 378.34 g/mol, XLogP of -1.34, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 59148981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).