propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate

C26H35N5O5 — CID 91167856

IUPACpropan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
SMILESCC(C)OC(=O)c1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C26H35N5O5/c1-20(2)36-26(32)22-5-3-4-21(16-22)19-27-29-24-17-23(31-9-13-34-14-10-31)18-25(28-24)35-15-8-30-6-11-33-12-7-30/h3-5,16-18,20H,6-15,19H2,1-2H3/b29-27+
InChIKeyYQFYBBXIYYOIKS-ORIPQNMZSA-N
MW497.60 g/mol
LogP3.48
Rot. Bonds10

About propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate

propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate (PubChem CID 91167856) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
PubChem CID91167856
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC Namepropan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
SMILESCC(C)OC(=O)c1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C26H35N5O5/c1-20(2)36-26(32)22-5-3-4-21(16-22)19-27-29-24-17-23(31-9-13-34-14-10-31)18-25(28-24)35-15-8-30-6-11-33-12-7-30/h3-5,16-18,20H,6-15,19H2,1-2H3/b29-27+
InChIKeyYQFYBBXIYYOIKS-ORIPQNMZSA-N
XLogP3.48
TPSA98.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide
CID 91426337
(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90855310
furan-3-ylmethyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90828738
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
[6-[2-(4-ethyl-3-methylidenepiperazin-1-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91248171
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
3-[(E)-C-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]carbonohydrazonoyl]benzoic acid
CID 87105215
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91022452
3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66682180
(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
CID 91613854
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464
3-(hydroxymethyl)-5-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]hydrazinylidene]methyl]benzamide
CID 66684026

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate?
The IUPAC name of propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate (CID 91167856) is propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate.
What is the SMILES notation for propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate?
The canonical SMILES for propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate is CC(C)OC(=O)c1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1.
What is the InChIKey of propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate?
The InChIKey is YQFYBBXIYYOIKS-ORIPQNMZSA-N. The full InChI is InChI=1S/C26H35N5O5/c1-20(2)36-26(32)22-5-3-4-21(16-22)19-27-29-24-17-23(31-9-13-34-14-10-31)18-25(28-24)35-15-8-30-6-11-33-12-7-30/h3-5,16-18,20H,6-15,19H2,1-2H3/b29-27+.
What are the key properties of propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate?
propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate has a molecular weight of 497.60 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate is sourced from PubChem (CID 91167856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).