2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid

C14H18N2O4S — CID 166258142

IUPAC2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCS(=O)(=O)C2(CCC2)C1
InChIInChI=1S/C14H18N2O4S/c17-13(18)11-3-1-7-15-12(11)16-10-4-8-21(19,20)14(9-10)5-2-6-14/h1,3,7,10H,2,4-6,8-9H2,(H,15,16)(H,17,18)
InChIKeyQZIPPKDKCYERFM-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.69
Rot. Bonds3

About 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid

2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid (PubChem CID 166258142) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid
PubChem CID166258142
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCS(=O)(=O)C2(CCC2)C1
InChIInChI=1S/C14H18N2O4S/c17-13(18)11-3-1-7-15-12(11)16-10-4-8-21(19,20)14(9-10)5-2-6-14/h1,3,7,10H,2,4-6,8-9H2,(H,15,16)(H,17,18)
InChIKeyQZIPPKDKCYERFM-UHFFFAOYSA-N
XLogP1.69
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
CID 90093326
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 43317156
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-formamidopyridine-3-carboxylic acid
CID 54137252
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid (CID 166258142) is 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NC1CCS(=O)(=O)C2(CCC2)C1.
What is the InChIKey of 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is QZIPPKDKCYERFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-13(18)11-3-1-7-15-12(11)16-10-4-8-21(19,20)14(9-10)5-2-6-14/h1,3,7,10H,2,4-6,8-9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid?
2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 310.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 166258142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).