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

C25H26N4O2S — CID 44590151

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCCC3=O)CC2)nc1
InChIInChI=1S/C25H26N4O2S/c26-19-7-5-17(21-3-2-14-32-21)15-20(19)28-24(31)18-6-8-23(27-16-18)29-12-10-25(11-13-29)9-1-4-22(25)30/h2-3,5-8,14-16H,1,4,9-13,26H2,(H,28,31)
InChIKeyFWKBFPQWMNWVEP-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.98
Rot. Bonds4

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

N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44590151) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44590151
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCCC3=O)CC2)nc1
InChIInChI=1S/C25H26N4O2S/c26-19-7-5-17(21-3-2-14-32-21)15-20(19)28-24(31)18-6-8-23(27-16-18)29-12-10-25(11-13-29)9-1-4-22(25)30/h2-3,5-8,14-16H,1,4,9-13,26H2,(H,28,31)
InChIKeyFWKBFPQWMNWVEP-UHFFFAOYSA-N
XLogP4.98
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 44454416
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
CID 44590208
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)nicotinamide
CID 24744322
6-(7-acetyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24744323
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24744325
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
6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24744793
8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyridin-2-yl)-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 24744797
6-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 24745269
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24746434
N-(2-amino-5-(thiophen-3-yl)phenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide
CID 24746436

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44590151) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCCC3=O)CC2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is FWKBFPQWMNWVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c26-19-7-5-17(21-3-2-14-32-21)15-20(19)28-24(31)18-6-8-23(27-16-18)29-12-10-25(11-13-29)9-1-4-22(25)30/h2-3,5-8,14-16H,1,4,9-13,26H2,(H,28,31).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 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-(4-oxo-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44590151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).