4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid

C12H17N3O4S — CID 63651770

IUPAC4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C12H17N3O4S/c1-9-4-2-3-7-15(9)20(18,19)14-10-5-6-13-11(8-10)12(16)17/h5-6,8-9H,2-4,7H2,1H3,(H,13,14)(H,16,17)
InChIKeyAYGRPMLSEZPPOY-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.31
Rot. Bonds4

About 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid

4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid (PubChem CID 63651770) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
PubChem CID63651770
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C12H17N3O4S/c1-9-4-2-3-7-15(9)20(18,19)14-10-5-6-13-11(8-10)12(16)17/h5-6,8-9H,2-4,7H2,1H3,(H,13,14)(H,16,17)
InChIKeyAYGRPMLSEZPPOY-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 60862727
6-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 63641694
methyl 3-[(2-methylpiperidin-1-yl)sulfonylamino]benzoate
CID 43624206
2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43210819
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-methylpiperidine-1-sulfonamide
CID 102821759
2-methyl-N-[3-(methylaminomethyl)phenyl]piperidine-1-sulfonamide
CID 43606211
3-methyl-2-[(2-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 43107263
3-methyl-5-[(2-methylpiperidin-1-yl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60869218
4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
N-(2-amino-5-methylphenyl)-2-methylpiperidine-1-sulfonamide
CID 112557464
3-[2-[(2-methylpiperidin-1-yl)sulfonylamino]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 76906251
N-(2-chloro-4-iodophenyl)-2-methylpiperidine-1-sulfonamide
CID 107606867

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid (CID 63651770) is 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid is CC1CCCCN1S(=O)(=O)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid?
The InChIKey is AYGRPMLSEZPPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-9-4-2-3-7-15(9)20(18,19)14-10-5-6-13-11(8-10)12(16)17/h5-6,8-9H,2-4,7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid?
4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-1-yl)sulfonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).