N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

C29H28N6O2S — CID 24744322

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc1
InChIInChI=1S/C29H28N6O2S/c30-23-10-8-20(25-7-4-16-38-25)17-24(23)33-27(36)21-9-11-26(31-18-21)34-14-12-29(13-15-34)28(37)32-19-35(29)22-5-2-1-3-6-22/h1-11,16-18H,12-15,19,30H2,(H,32,37)(H,33,36)
InChIKeyPXEWZGVZHBQFDU-UHFFFAOYSA-N
MW524.65 g/mol
LogP4.58
Rot. Bonds5

About N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 24744322) has the molecular formula C29H28N6O2S and a molecular weight of 524.65 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID24744322
Molecular FormulaC29H28N6O2S
Molecular Weight524.65 g/mol
Exact Mass524.20
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc1
InChIInChI=1S/C29H28N6O2S/c30-23-10-8-20(25-7-4-16-38-25)17-24(23)33-27(36)21-9-11-26(31-18-21)34-14-12-29(13-15-34)28(37)32-19-35(29)22-5-2-1-3-6-22/h1-11,16-18H,12-15,19,30H2,(H,32,37)(H,33,36)
InChIKeyPXEWZGVZHBQFDU-UHFFFAOYSA-N
XLogP4.58
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.65
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 24744322) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-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-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)C(=O)NCN3c2ccccc2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is PXEWZGVZHBQFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2S/c30-23-10-8-20(25-7-4-16-38-25)17-24(23)33-27(36)21-9-11-26(31-18-21)34-14-12-29(13-15-34)28(37)32-19-35(29)22-5-2-1-3-6-22/h1-11,16-18H,12-15,19,30H2,(H,32,37)(H,33,36).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 524.65 g/mol, XLogP of 4.58, 5 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-2-ylphenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 24744322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).