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

C23H23N5O3S — CID 24744326

IUPACN-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1
InChIInChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(H,27,29)
InChIKeyCZBWGHKLVDVZHV-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.72
Rot. Bonds4

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

N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 24744326) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID24744326
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1
InChIInChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(H,27,29)
InChIKeyCZBWGHKLVDVZHV-UHFFFAOYSA-N
XLogP3.72
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 44590208
CID 44590208
CID 24744322
CID 24744322
CID 24744323
CID 24744323
CID 24744325
CID 24744325
CID 24744473
CID 24744473
CID 24744793
CID 24744793
CID 24744797
CID 24744797
CID 24745269
CID 24745269
CID 24746434
CID 24746434
CID 24746436
CID 24746436
CID 24746437
CID 24746437
CID 25009146
CID 25009146

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 24744326) is N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2ccsc2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)O3)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is CZBWGHKLVDVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c24-18-3-1-15(17-5-10-32-13-17)11-19(18)27-21(29)16-2-4-20(25-12-16)28-8-6-23(7-9-28)14-26-22(30)31-23/h1-5,10-13H,6-9,14,24H2,(H,26,30)(H,27,29).
What are the key properties of N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 449.54 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-3-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 24744326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).