10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid

C23H29N3O5S — CID 134210300

IUPAC10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)O)CC23CCCC3)c(=O)cc1-c1ccsc1
InChIInChI=1S/C23H29N3O5S/c1-24(2)20(28)18-12-26(19(27)11-17(18)16-5-10-32-13-16)15-23(31)8-9-25(21(29)30)14-22(23)6-3-4-7-22/h5,10-13,31H,3-4,6-9,14-15H2,1-2H3,(H,29,30)
InChIKeyMKKHEPWVXDRFCO-UHFFFAOYSA-N
MW459.57 g/mol
LogP2.95
Rot. Bonds4

About 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid

10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid (PubChem CID 134210300) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
PubChem CID134210300
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
SMILESCN(C)C(=O)c1cn(CC2(O)CCN(C(=O)O)CC23CCCC3)c(=O)cc1-c1ccsc1
InChIInChI=1S/C23H29N3O5S/c1-24(2)20(28)18-12-26(19(27)11-17(18)16-5-10-32-13-16)15-23(31)8-9-25(21(29)30)14-22(23)6-3-4-7-22/h5,10-13,31H,3-4,6-9,14-15H2,1-2H3,(H,29,30)
InChIKeyMKKHEPWVXDRFCO-UHFFFAOYSA-N
XLogP2.95
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid (CID 134210300) is 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid is CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)O)CC23CCCC3)c(=O)cc1-c1ccsc1.
What is the InChIKey of 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is MKKHEPWVXDRFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-24(2)20(28)18-12-26(19(27)11-17(18)16-5-10-32-13-16)15-23(31)8-9-25(21(29)30)14-22(23)6-3-4-7-22/h5,10-13,31H,3-4,6-9,14-15H2,1-2H3,(H,29,30).
What are the key properties of 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid?
10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 459.57 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 134210300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).