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

C23H24N6O2S — CID 44589520

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)N3)nc1
InChIInChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)14-26-22(31)28-23/h1-6,11-13H,7-10,14,24H2,(H,27,30)(H2,26,28,31)
InChIKeyPCLVYCVVWYEUSB-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.30
Rot. Bonds4

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

N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44589520) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44589520
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)N3)nc1
InChIInChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)14-26-22(31)28-23/h1-6,11-13H,7-10,14,24H2,(H,27,30)(H2,26,28,31)
InChIKeyPCLVYCVVWYEUSB-UHFFFAOYSA-N
XLogP3.30
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44589520) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)N3)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is PCLVYCVVWYEUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)14-26-22(31)28-23/h1-6,11-13H,7-10,14,24H2,(H,27,30)(H2,26,28,31).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 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-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44589520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).