methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate

C19H17N5O5 — CID 4203470

IUPACmethyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C19H17N5O5/c1-29-16(26)11-24-14-7-3-2-6-13(14)17(19(24)28)23-22-15(25)10-21-18(27)12-5-4-8-20-9-12/h2-9,28H,10-11H2,1H3,(H,21,27)/b23-22+
InChIKeyAITAOQZKAZZAGF-GHVJWSGMSA-N
MW395.38 g/mol
LogP1.96
Rot. Bonds6

About methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate

methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate (PubChem CID 4203470) has the molecular formula C19H17N5O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate
PubChem CID4203470
Molecular FormulaC19H17N5O5
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Namemethyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate
SMILESCOC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C19H17N5O5/c1-29-16(26)11-24-14-7-3-2-6-13(14)17(19(24)28)23-22-15(25)10-21-18(27)12-5-4-8-20-9-12/h2-9,28H,10-11H2,1H3,(H,21,27)/b23-22+
InChIKeyAITAOQZKAZZAGF-GHVJWSGMSA-N
XLogP1.96
TPSA135.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate (CID 4203470) is methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate is COC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2cccnc2)c2ccccc21.
What is the InChIKey of methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate?
The InChIKey is AITAOQZKAZZAGF-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H17N5O5/c1-29-16(26)11-24-14-7-3-2-6-13(14)17(19(24)28)23-22-15(25)10-21-18(27)12-5-4-8-20-9-12/h2-9,28H,10-11H2,1H3,(H,21,27)/b23-22+.
What are the key properties of methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate?
methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate has a molecular weight of 395.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 4203470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).