N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide

C24H25N5O — CID 23582189

IUPACN-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1
InChIInChI=1S/C24H25N5O/c25-19-6-2-4-8-21(19)28-23(30)17-9-10-22(26-15-17)29-13-11-24(12-14-29)16-27-20-7-3-1-5-18(20)24/h1-10,15,27H,11-14,16,25H2,(H,28,30)
InChIKeyMIMFQMSYGWSKSM-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.88
Rot. Bonds3

About N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide

N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide (PubChem CID 23582189) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide
PubChem CID23582189
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide
SMILESNc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1
InChIInChI=1S/C24H25N5O/c25-19-6-2-4-8-21(19)28-23(30)17-9-10-22(26-15-17)29-13-11-24(12-14-29)16-27-20-7-3-1-5-18(20)24/h1-10,15,27H,11-14,16,25H2,(H,28,30)
InChIKeyMIMFQMSYGWSKSM-UHFFFAOYSA-N
XLogP3.88
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide (CID 23582189) is N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide is Nc1ccccc1NC(=O)c1ccc(N2CCC3(CC2)CNc2ccccc23)nc1.
What is the InChIKey of N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
The InChIKey is MIMFQMSYGWSKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c25-19-6-2-4-8-21(19)28-23(30)17-9-10-22(26-15-17)29-13-11-24(12-14-29)16-27-20-7-3-1-5-18(20)24/h1-10,15,27H,11-14,16,25H2,(H,28,30).
What are the key properties of N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide?
N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpyridine-3-carboxamide is sourced from PubChem (CID 23582189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).