N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide

C28H27N5OS — CID 25009146

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1
InChIInChI=1S/C28H27N5OS/c29-22-9-7-19(25-6-3-15-35-25)16-24(22)32-27(34)20-8-10-26(30-17-20)33-13-11-28(12-14-33)18-31-23-5-2-1-4-21(23)28/h1-10,15-17,31H,11-14,18,29H2,(H,32,34)
InChIKeyYBCAQIYOMLXOOO-UHFFFAOYSA-N
MW481.63 g/mol
LogP5.61
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide (PubChem CID 25009146) has the molecular formula C28H27N5OS and a molecular weight of 481.63 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide
PubChem CID25009146
Molecular FormulaC28H27N5OS
Molecular Weight481.63 g/mol
Exact Mass481.19
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1
InChIInChI=1S/C28H27N5OS/c29-22-9-7-19(25-6-3-15-35-25)16-24(22)32-27(34)20-8-10-26(30-17-20)33-13-11-28(12-14-33)18-31-23-5-2-1-4-21(23)28/h1-10,15-17,31H,11-14,18,29H2,(H,32,34)
InChIKeyYBCAQIYOMLXOOO-UHFFFAOYSA-N
XLogP5.61
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.63
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide (CID 25009146) is N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
The InChIKey is YBCAQIYOMLXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5OS/c29-22-9-7-19(25-6-3-15-35-25)16-24(22)32-27(34)20-8-10-26(30-17-20)33-13-11-28(12-14-33)18-31-23-5-2-1-4-21(23)28/h1-10,15-17,31H,11-14,18,29H2,(H,32,34).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide has a molecular weight of 481.63 g/mol, XLogP of 5.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide is sourced from PubChem (CID 25009146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).