6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one

C24H33N7O6 — CID 162370893

IUPAC6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one
SMILESO=c1cccc(CNCCN(CCNCc2cccc(=O)n2O)CCNCc2cccc(=O)n2O)n1O
InChIInChI=1S/C24H33N7O6/c32-22-7-1-4-19(29(22)35)16-25-10-13-28(14-11-26-17-20-5-2-8-23(33)30(20)36)15-12-27-18-21-6-3-9-24(34)31(21)37/h1-9,25-27,35-37H,10-18H2
InChIKeyHIXQZHDCKKZGSB-UHFFFAOYSA-N
MW515.57 g/mol
LogP-1.15
Rot. Bonds15

About 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one

6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one (PubChem CID 162370893) has the molecular formula C24H33N7O6 and a molecular weight of 515.57 g/mol. Its IUPAC name is 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one
PubChem CID162370893
Molecular FormulaC24H33N7O6
Molecular Weight515.57 g/mol
Exact Mass515.25
IUPAC Name6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one
SMILESO=c1cccc(CNCCN(CCNCc2cccc(=O)n2O)CCNCc2cccc(=O)n2O)n1O
InChIInChI=1S/C24H33N7O6/c32-22-7-1-4-19(29(22)35)16-25-10-13-28(14-11-26-17-20-5-2-8-23(33)30(20)36)15-12-27-18-21-6-3-9-24(34)31(21)37/h1-9,25-27,35-37H,10-18H2
InChIKeyHIXQZHDCKKZGSB-UHFFFAOYSA-N
XLogP-1.15
TPSA166.02 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 5-1.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one 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 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one?
The IUPAC name of 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one (CID 162370893) is 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one.
What is the SMILES notation for 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one?
The canonical SMILES for 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one is O=c1cccc(CNCCN(CCNCc2cccc(=O)n2O)CCNCc2cccc(=O)n2O)n1O.
What is the InChIKey of 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one?
The InChIKey is HIXQZHDCKKZGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O6/c32-22-7-1-4-19(29(22)35)16-25-10-13-28(14-11-26-17-20-5-2-8-23(33)30(20)36)15-12-27-18-21-6-3-9-24(34)31(21)37/h1-9,25-27,35-37H,10-18H2.
What are the key properties of 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one?
6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one has a molecular weight of 515.57 g/mol, XLogP of -1.15, 15 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[bis[2-[(1-hydroxy-6-oxo-2-pyridinyl)methylamino]ethyl]amino]ethylamino]methyl]-1-hydroxypyridin-2-one is sourced from PubChem (CID 162370893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).