8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H25N5O3 — CID 56894880

IUPAC8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)n1
InChIInChI=1S/C17H25N5O3/c1-20(2)15(23)12-9-18-10-14(19-12)22-6-4-17(5-7-22)8-13(16(24)25)21(3)11-17/h9-10,13H,4-8,11H2,1-3H3,(H,24,25)
InChIKeyUTZUMJCAPGQXHL-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.55
Rot. Bonds3

About 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56894880) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56894880
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN(C)C(=O)c1cncc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)n1
InChIInChI=1S/C17H25N5O3/c1-20(2)15(23)12-9-18-10-14(19-12)22-6-4-17(5-7-22)8-13(16(24)25)21(3)11-17/h9-10,13H,4-8,11H2,1-3H3,(H,24,25)
InChIKeyUTZUMJCAPGQXHL-UHFFFAOYSA-N
XLogP0.55
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56894880) is 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN(C)C(=O)c1cncc(N2CCC3(CC2)CC(C(=O)O)N(C)C3)n1.
What is the InChIKey of 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is UTZUMJCAPGQXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-20(2)15(23)12-9-18-10-14(19-12)22-6-4-17(5-7-22)8-13(16(24)25)21(3)11-17/h9-10,13H,4-8,11H2,1-3H3,(H,24,25).
What are the key properties of 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylcarbamoyl)pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56894880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).