N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide

C28H34N4O2S2 — CID 10929431

IUPACN-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide
SMILESO=C(CCCCC1CCSS1)NCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C28H34N4O2S2/c33-28(13-3-2-10-23-14-19-35-36-23)31-17-6-1-9-18-34-22-20-26(24-11-4-7-15-29-24)32-27(21-22)25-12-5-8-16-30-25/h4-5,7-8,11-12,15-16,20-21,23H,1-3,6,9-10,13-14,17-19H2,(H,31,33)
InChIKeyARUAUMNXEPHORN-UHFFFAOYSA-N
MW522.74 g/mol
LogP6.59
Rot. Bonds14

About N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide

N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide (PubChem CID 10929431) has the molecular formula C28H34N4O2S2 and a molecular weight of 522.74 g/mol. Its IUPAC name is N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide.

Molecular Properties

Compound NameN-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide
PubChem CID10929431
Molecular FormulaC28H34N4O2S2
Molecular Weight522.74 g/mol
Exact Mass522.21
IUPAC NameN-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide
SMILESO=C(CCCCC1CCSS1)NCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C28H34N4O2S2/c33-28(13-3-2-10-23-14-19-35-36-23)31-17-6-1-9-18-34-22-20-26(24-11-4-7-15-29-24)32-27(21-22)25-12-5-8-16-30-25/h4-5,7-8,11-12,15-16,20-21,23H,1-3,6,9-10,13-14,17-19H2,(H,31,33)
InChIKeyARUAUMNXEPHORN-UHFFFAOYSA-N
XLogP6.59
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.74
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide 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 N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide?
The IUPAC name of N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide (CID 10929431) is N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide.
What is the SMILES notation for N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide?
The canonical SMILES for N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide is O=C(CCCCC1CCSS1)NCCCCCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide?
The InChIKey is ARUAUMNXEPHORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2S2/c33-28(13-3-2-10-23-14-19-35-36-23)31-17-6-1-9-18-34-22-20-26(24-11-4-7-15-29-24)32-27(21-22)25-12-5-8-16-30-25/h4-5,7-8,11-12,15-16,20-21,23H,1-3,6,9-10,13-14,17-19H2,(H,31,33).
What are the key properties of N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide?
N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide has a molecular weight of 522.74 g/mol, XLogP of 6.59, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]pentyl]-5-(dithiolan-3-yl)pentanamide is sourced from PubChem (CID 10929431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).