6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide

C25H27N5O2S — CID 24744323

IUPAC6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1
InChIInChI=1S/C25H27N5O2S/c1-17(31)29-10-8-25(15-29)9-11-30(16-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
InChIKeyNMYJHEVKOMVYHA-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.09
Rot. Bonds4

About 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide

6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 24744323) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
PubChem CID24744323
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1
InChIInChI=1S/C25H27N5O2S/c1-17(31)29-10-8-25(15-29)9-11-30(16-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
InChIKeyNMYJHEVKOMVYHA-UHFFFAOYSA-N
XLogP4.09
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.09
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-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide (CID 24744323) is 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is CC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)C2)C1.
What is the InChIKey of 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is NMYJHEVKOMVYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-17(31)29-10-8-25(15-29)9-11-30(16-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32).
What are the key properties of 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide?
6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetyl-2,7-diazaspiro[4.4]nonan-7-yl)-N-(2-amino-5-thiophen-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 24744323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).