N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

C20H22N4OS — CID 128972946

IUPACN-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccsc1)C1CC12CCN(c1ccc(C#N)cn1)CC2
InChIInChI=1S/C20H22N4OS/c1-15(25)24(13-17-4-9-26-14-17)18-10-20(18)5-7-23(8-6-20)19-3-2-16(11-21)12-22-19/h2-4,9,12,14,18H,5-8,10,13H2,1H3
InChIKeyQFGURVQQLZOLQK-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.42
Rot. Bonds4

About N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 128972946) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID128972946
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccsc1)C1CC12CCN(c1ccc(C#N)cn1)CC2
InChIInChI=1S/C20H22N4OS/c1-15(25)24(13-17-4-9-26-14-17)18-10-20(18)5-7-23(8-6-20)19-3-2-16(11-21)12-22-19/h2-4,9,12,14,18H,5-8,10,13H2,1H3
InChIKeyQFGURVQQLZOLQK-UHFFFAOYSA-N
XLogP3.42
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475710
N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 146129102
N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
CID 125138274
N-[6-(4-methoxypyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971972
N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129337393
N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128994950
N-[(2R)-6-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189
N-[6-(3-methylsulfanylpropanoyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128974534
N-[(2S)-6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129478324
N-[6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971240

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 128972946) is N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is CC(=O)N(Cc1ccsc1)C1CC12CCN(c1ccc(C#N)cn1)CC2.
What is the InChIKey of N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is QFGURVQQLZOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-15(25)24(13-17-4-9-26-14-17)18-10-20(18)5-7-23(8-6-20)19-3-2-16(11-21)12-22-19/h2-4,9,12,14,18H,5-8,10,13H2,1H3.
What are the key properties of N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 128972946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).