5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid

C12H17N3O4S — CID 63154396

IUPAC5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)Nc2cncc(C(=O)O)c2)C1
InChIInChI=1S/C12H17N3O4S/c1-9-3-2-4-15(8-9)20(18,19)14-11-5-10(12(16)17)6-13-7-11/h5-7,9,14H,2-4,8H2,1H3,(H,16,17)
InChIKeyGQNINUAUZFRBDF-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.17
Rot. Bonds4

About 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid

5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63154396) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63154396
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)Nc2cncc(C(=O)O)c2)C1
InChIInChI=1S/C12H17N3O4S/c1-9-3-2-4-15(8-9)20(18,19)14-11-5-10(12(16)17)6-13-7-11/h5-7,9,14H,2-4,8H2,1H3,(H,16,17)
InChIKeyGQNINUAUZFRBDF-UHFFFAOYSA-N
XLogP1.17
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid (CID 63154396) is 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid is CC1CCCN(S(=O)(=O)Nc2cncc(C(=O)O)c2)C1.
What is the InChIKey of 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is GQNINUAUZFRBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-9-3-2-4-15(8-9)20(18,19)14-11-5-10(12(16)17)6-13-7-11/h5-7,9,14H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid?
5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).