2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C27H36N4O2 — CID 71064178

IUPAC2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCCCCCCCCCN(C)CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C27H36N4O2/c1-3-4-5-6-7-8-9-15-31(2)19-24(32)29-22-13-12-20-17-27(18-21(20)16-22)23-11-10-14-28-25(23)30-26(27)33/h10-14,16H,3-9,15,17-19H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyGUIQQZKQPDOODL-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.69
Rot. Bonds11

About 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 71064178) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID71064178
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCCCCCCCCCN(C)CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21
InChIInChI=1S/C27H36N4O2/c1-3-4-5-6-7-8-9-15-31(2)19-24(32)29-22-13-12-20-17-27(18-21(20)16-22)23-11-10-14-28-25(23)30-26(27)33/h10-14,16H,3-9,15,17-19H2,1-2H3,(H,29,32)(H,28,30,33)
InChIKeyGUIQQZKQPDOODL-UHFFFAOYSA-N
XLogP4.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 71064178) is 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CCCCCCCCCN(C)CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21.
What is the InChIKey of 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is GUIQQZKQPDOODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-3-4-5-6-7-8-9-15-31(2)19-24(32)29-22-13-12-20-17-27(18-21(20)16-22)23-11-10-14-28-25(23)30-26(27)33/h10-14,16H,3-9,15,17-19H2,1-2H3,(H,29,32)(H,28,30,33).
What are the key properties of 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 448.61 g/mol, XLogP of 4.69, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(nonyl)amino]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 71064178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).