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

C24H25N5O2S — CID 44590209

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)C3)nc1
InChIInChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-11-32-20)12-19(18)28-23(31)17-4-6-21(26-14-17)29-9-7-24(8-10-29)13-22(30)27-15-24/h1-6,11-12,14H,7-10,13,15,25H2,(H,27,30)(H,28,31)
InChIKeyUOGVQPFUBRCCIE-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.75
Rot. Bonds4

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

N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44590209) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44590209
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)C3)nc1
InChIInChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-11-32-20)12-19(18)28-23(31)17-4-6-21(26-14-17)29-9-7-24(8-10-29)13-22(30)27-15-24/h1-6,11-12,14H,7-10,13,15,25H2,(H,27,30)(H,28,31)
InChIKeyUOGVQPFUBRCCIE-UHFFFAOYSA-N
XLogP3.75
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.75
H-Bond Donors ≤ 53
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-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44590209) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)C3)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is UOGVQPFUBRCCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-11-32-20)12-19(18)28-23(31)17-4-6-21(26-14-17)29-9-7-24(8-10-29)13-22(30)27-15-24/h1-6,11-12,14H,7-10,13,15,25H2,(H,27,30)(H,28,31).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 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-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44590209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).