N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide

C26H34N6O4 — CID 91426337

IUPACN-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide
SMILESO=C(NC1CC1)c1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C26H34N6O4/c33-26(28-22-4-5-22)21-3-1-2-20(16-21)19-27-30-24-17-23(32-9-13-35-14-10-32)18-25(29-24)36-15-8-31-6-11-34-12-7-31/h1-3,16-18,22H,4-15,19H2,(H,28,33)/b30-27+
InChIKeyCEMQUBLWXJLDJV-KDJFERLWSA-N
MW494.60 g/mol
LogP2.81
Rot. Bonds10

About N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide

N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide (PubChem CID 91426337) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide
PubChem CID91426337
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC NameN-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide
SMILESO=C(NC1CC1)c1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1
InChIInChI=1S/C26H34N6O4/c33-26(28-22-4-5-22)21-3-1-2-20(16-21)19-27-30-24-17-23(32-9-13-35-14-10-32)18-25(29-24)36-15-8-31-6-11-34-12-7-31/h1-3,16-18,22H,4-15,19H2,(H,28,33)/b30-27+
InChIKeyCEMQUBLWXJLDJV-KDJFERLWSA-N
XLogP2.81
TPSA100.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzoate
CID 91167856
(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
[6-[2-(4-ethyl-3-methylidenepiperazin-1-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91248171
3-[(E)-C-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]carbonohydrazonoyl]benzoic acid
CID 87105215
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
3-[2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 66682180
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91022452
3-(hydroxymethyl)-5-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]hydrazinylidene]methyl]benzamide
CID 66684026
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464
(4,5-dimethylfuran-2-yl)-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methyl]diazene
CID 91613854

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide (CID 91426337) is N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide is O=C(NC1CC1)c1cccc(C/N=N/c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1.
What is the InChIKey of N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide?
The InChIKey is CEMQUBLWXJLDJV-KDJFERLWSA-N. The full InChI is InChI=1S/C26H34N6O4/c33-26(28-22-4-5-22)21-3-1-2-20(16-21)19-27-30-24-17-23(32-9-13-35-14-10-32)18-25(29-24)36-15-8-31-6-11-34-12-7-31/h1-3,16-18,22H,4-15,19H2,(H,28,33)/b30-27+.
What are the key properties of N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide?
N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide has a molecular weight of 494.60 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]diazenyl]methyl]benzamide is sourced from PubChem (CID 91426337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).