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

C24H27N5OS — CID 24746434

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
InChIKeyCHKGICCHQYDKNR-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.22
Rot. Bonds4

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

N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (PubChem CID 24746434) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
PubChem CID24746434
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1
InChIInChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
InChIKeyCHKGICCHQYDKNR-UHFFFAOYSA-N
XLogP4.22
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.22
H-Bond Donors ≤ 53
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
Dipyridodiazepinone deriv. 44
CID 463564
Dipyridodiazepinone deriv. 45
CID 463565
N-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiophene-2-carboxamide
CID 2741895
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
CID 44590208
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-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11441583
N-(3,5-dimethylphenyl)-2-[[2-(methylamino)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 11451760
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 23150975
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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide (CID 24746434) is N-(2-amino-5-thiophen-2-ylphenyl)-6-(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-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CCNC3)CC2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
The InChIKey is CHKGICCHQYDKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 4.22, 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-(2,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide is sourced from PubChem (CID 24746434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).