3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol

C20H26N4O2 — CID 91061886

IUPAC3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
SMILESCc1cccc(C/N=N/c2cc(CCCO)nc(N3CCOCC3)c2)c1
InChIInChI=1S/C20H26N4O2/c1-16-4-2-5-17(12-16)15-21-23-19-13-18(6-3-9-25)22-20(14-19)24-7-10-26-11-8-24/h2,4-5,12-14,25H,3,6-11,15H2,1H3/b23-21+
InChIKeyCJUPEWUUBDCLTJ-XTQSDGFTSA-N
MW354.45 g/mol
LogP3.44
Rot. Bonds7

About 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol

3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol (PubChem CID 91061886) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
PubChem CID91061886
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
SMILESCc1cccc(C/N=N/c2cc(CCCO)nc(N3CCOCC3)c2)c1
InChIInChI=1S/C20H26N4O2/c1-16-4-2-5-17(12-16)15-21-23-19-13-18(6-3-9-25)22-20(14-19)24-7-10-26-11-8-24/h2,4-5,12-14,25H,3,6-11,15H2,1H3/b23-21+
InChIKeyCJUPEWUUBDCLTJ-XTQSDGFTSA-N
XLogP3.44
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[2-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-4-yl]propylboronic acid
CID 91101589
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91383917
[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91396544
2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
CID 91376685
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]propyl N-(4-nitrophenyl)carbamate
CID 90751088
1-cyano-2-[2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-3-phenylguanidine
CID 90880187
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
[3,5-difluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91388459
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene
CID 123360720
(2-morpholin-4-yl-6-propyl-4-pyridinyl)methanol
CID 113380426

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol?
The IUPAC name of 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol (CID 91061886) is 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol?
The canonical SMILES for 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol is Cc1cccc(C/N=N/c2cc(CCCO)nc(N3CCOCC3)c2)c1.
What is the InChIKey of 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol?
The InChIKey is CJUPEWUUBDCLTJ-XTQSDGFTSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-16-4-2-5-17(12-16)15-21-23-19-13-18(6-3-9-25)22-20(14-19)24-7-10-26-11-8-24/h2,4-5,12-14,25H,3,6-11,15H2,1H3/b23-21+.
What are the key properties of 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol?
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol has a molecular weight of 354.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 91061886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).