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

C23H24N6O2S — CID 44590211

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)NCNC3=O)nc1
InChIInChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)28-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)22(31)26-14-27-23/h1-6,11-13,27H,7-10,14,24H2,(H,26,31)(H,28,30)
InChIKeyMBPWBRLIXYHMKP-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.66
Rot. Bonds4

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

N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 44590211) 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-(4-oxo-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-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID44590211
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)NCNC3=O)nc1
InChIInChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)28-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)22(31)26-14-27-23/h1-6,11-13,27H,7-10,14,24H2,(H,26,31)(H,28,30)
InChIKeyMBPWBRLIXYHMKP-UHFFFAOYSA-N
XLogP2.66
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Dipyridodiazepinone deriv. 44
CID 463564
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CID 463565
6-[3-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanoylamino]-N-[4-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]butyl]hexanamide
CID 44405301
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
CID 44590208
Bodipy-pirenzepine
CID 101244456
N,N-dimethyl-2-[3-[4-(4-methyl-2-pyrrol-1-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10813278
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11247914
2-[[2-[acetyl(methyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11316116
2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11441583
N-(2-aminophenyl)-6-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)nicotinamide
CID 16070046
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 23150975

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-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-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 44590211) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-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-(4-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-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)NCNC3=O)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is MBPWBRLIXYHMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)28-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)22(31)26-14-27-23/h1-6,11-13,27H,7-10,14,24H2,(H,26,31)(H,28,30).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 2.66, 4 rotatable bonds, 4 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-1,3,8-triazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 44590211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).