(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene

C24H33N5O3 — CID 90855310

IUPAC(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
SMILESCc1ccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C24H33N5O3/c1-19-3-4-21(15-20(19)2)18-25-27-23-16-22(29-8-12-31-13-9-29)17-24(26-23)32-14-7-28-5-10-30-11-6-28/h3-4,15-17H,5-14,18H2,1-2H3/b27-25+
InChIKeyPVLOZURZPPHRPZ-IMVLJIQESA-N
MW439.56 g/mol
LogP3.53
Rot. Bonds8

About (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene

(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene (PubChem CID 90855310) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene.

Molecular Properties

Compound Name(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
PubChem CID90855310
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
SMILESCc1ccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C
InChIInChI=1S/C24H33N5O3/c1-19-3-4-21(15-20(19)2)18-25-27-23-16-22(29-8-12-31-13-9-29)17-24(26-23)32-14-7-28-5-10-30-11-6-28/h3-4,15-17H,5-14,18H2,1-2H3/b27-25+
InChIKeyPVLOZURZPPHRPZ-IMVLJIQESA-N
XLogP3.53
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

furan-3-ylmethyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene
CID 90828738
propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
CID 91167856
N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide
CID 91426337
[6-[2-(4-ethyl-3-methylidenepiperazin-1-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91248171
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
CID 91613854
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91022452
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464
N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673923
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene?
The IUPAC name of (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene (CID 90855310) is (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene.
What is the SMILES notation for (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene?
The canonical SMILES for (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene is Cc1ccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene?
The InChIKey is PVLOZURZPPHRPZ-IMVLJIQESA-N. The full InChI is InChI=1S/C24H33N5O3/c1-19-3-4-21(15-20(19)2)18-25-27-23-16-22(29-8-12-31-13-9-29)17-24(26-23)32-14-7-28-5-10-30-11-6-28/h3-4,15-17H,5-14,18H2,1-2H3/b27-25+.
What are the key properties of (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene?
(3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene has a molecular weight of 439.56 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)methyl-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazene is sourced from PubChem (CID 90855310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).