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

C26H29N5O2S — CID 24744793

IUPAC6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1
InChIInChI=1S/C26H29N5O2S/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33)
InChIKeyRSSAPDUETMNSKF-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.48
Rot. Bonds4

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

6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 24744793) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
PubChem CID24744793
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1
InChIInChI=1S/C26H29N5O2S/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33)
InChIKeyRSSAPDUETMNSKF-UHFFFAOYSA-N
XLogP4.48
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.48
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

Dipyridodiazepinone deriv. 44
CID 463564
Dipyridodiazepinone deriv. 45
CID 463565
N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
CID 44454416
2-(2-Acetylaminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11188964
N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
CID 44590208
Nevirapin 4-substituted deriv. 4h
CID 464528
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
N-(3,5-dimethylphenyl)-2-[[2-(propanoylamino)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
CID 11339172
2-[[2-[(2-aminoacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11441583

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (CID 24744793) is 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is CC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1.
What is the InChIKey of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is RSSAPDUETMNSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33).
What are the key properties of 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 24744793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).