6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide

C26H29N5O2S — CID 24746437

IUPAC6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1
InChIInChI=1S/C26H29N5O2S/c1-18(32)30-12-10-26(16-30)9-3-11-31(17-26)24-8-6-20(15-28-24)25(33)29-22-14-19(5-7-21(22)27)23-4-2-13-34-23/h2,4-8,13-15H,3,9-12,16-17,27H2,1H3,(H,29,33)
InChIKeyXEFVDOQLJDPHEO-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.48
Rot. Bonds4

About 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide

6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 24746437) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
PubChem CID24746437
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1
InChIInChI=1S/C26H29N5O2S/c1-18(32)30-12-10-26(16-30)9-3-11-31(17-26)24-8-6-20(15-28-24)25(33)29-22-14-19(5-7-21(22)27)23-4-2-13-34-23/h2,4-8,13-15H,3,9-12,16-17,27H2,1H3,(H,29,33)
InChIKeyXEFVDOQLJDPHEO-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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Frequently Asked Questions

What is the IUPAC name of 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (CID 24746437) is 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is CC(=O)N1CCC2(CCCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1.
What is the InChIKey of 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is XEFVDOQLJDPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-18(32)30-12-10-26(16-30)9-3-11-31(17-26)24-8-6-20(15-28-24)25(33)29-22-14-19(5-7-21(22)27)23-4-2-13-34-23/h2,4-8,13-15H,3,9-12,16-17,27H2,1H3,(H,29,33).
What are the key properties of 6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
6-(2-acetyl-2,9-diazaspiro[4.5]decan-9-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-2,9-diazaspiro[4.5]decan-9-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 24746437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).