N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide

C23H22N4O4S — CID 139460390

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCOCC3)OC2=O)nc1
InChIInChI=1S/C23H22N4O4S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)26-21(28)16-4-6-20(25-13-16)27-14-23(31-22(27)29)7-9-30-10-8-23/h1-6,11-13H,7-10,14,24H2,(H,26,28)
InChIKeyNKOBCSZRALGKFA-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.15
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide (PubChem CID 139460390) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
PubChem CID139460390
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCOCC3)OC2=O)nc1
InChIInChI=1S/C23H22N4O4S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)26-21(28)16-4-6-20(25-13-16)27-14-23(31-22(27)29)7-9-30-10-8-23/h1-6,11-13H,7-10,14,24H2,(H,26,28)
InChIKeyNKOBCSZRALGKFA-UHFFFAOYSA-N
XLogP4.15
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-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-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide (CID 139460390) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CC3(CCOCC3)OC2=O)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide?
The InChIKey is NKOBCSZRALGKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)26-21(28)16-4-6-20(25-13-16)27-14-23(31-22(27)29)7-9-30-10-8-23/h1-6,11-13H,7-10,14,24H2,(H,26,28).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,8-dioxa-3-azaspiro[4.5]decan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139460390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).