2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide

C20H26N4O6 — CID 13423279

IUPAC2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide
SMILESO=C(Cn1cccc(O)c1=O)NCCCCCCNC(=O)Cn1cccc(O)c1=O
InChIInChI=1S/C20H26N4O6/c25-15-7-5-11-23(19(15)29)13-17(27)21-9-3-1-2-4-10-22-18(28)14-24-12-6-8-16(26)20(24)30/h5-8,11-12,25-26H,1-4,9-10,13-14H2,(H,21,27)(H,22,28)
InChIKeyARFVMDGLWVUTTD-UHFFFAOYSA-N
MW418.45 g/mol
LogP-0.09
Rot. Bonds11

About 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide

2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide (PubChem CID 13423279) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide
PubChem CID13423279
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide
SMILESO=C(Cn1cccc(O)c1=O)NCCCCCCNC(=O)Cn1cccc(O)c1=O
InChIInChI=1S/C20H26N4O6/c25-15-7-5-11-23(19(15)29)13-17(27)21-9-3-1-2-4-10-22-18(28)14-24-12-6-8-16(26)20(24)30/h5-8,11-12,25-26H,1-4,9-10,13-14H2,(H,21,27)(H,22,28)
InChIKeyARFVMDGLWVUTTD-UHFFFAOYSA-N
XLogP-0.09
TPSA142.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide?
The IUPAC name of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide (CID 13423279) is 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide?
The canonical SMILES for 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide is O=C(Cn1cccc(O)c1=O)NCCCCCCNC(=O)Cn1cccc(O)c1=O.
What is the InChIKey of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide?
The InChIKey is ARFVMDGLWVUTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6/c25-15-7-5-11-23(19(15)29)13-17(27)21-9-3-1-2-4-10-22-18(28)14-24-12-6-8-16(26)20(24)30/h5-8,11-12,25-26H,1-4,9-10,13-14H2,(H,21,27)(H,22,28).
What are the key properties of 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide?
2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide has a molecular weight of 418.45 g/mol, XLogP of -0.09, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-oxo-1-pyridinyl)-N-[6-[[2-(3-hydroxy-2-oxo-1-pyridinyl)acetyl]amino]hexyl]acetamide is sourced from PubChem (CID 13423279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).