6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid

C12H17N3O5S — CID 63642361

IUPAC6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O5S/c1-3-7-21(19,20)15-8(2)11(16)14-10-6-4-5-9(13-10)12(17)18/h4-6,8,15H,3,7H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyVYVLEHNHMRWAKP-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.44
Rot. Bonds7

About 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid

6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid (PubChem CID 63642361) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid
PubChem CID63642361
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H17N3O5S/c1-3-7-21(19,20)15-8(2)11(16)14-10-6-4-5-9(13-10)12(17)18/h4-6,8,15H,3,7H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyVYVLEHNHMRWAKP-UHFFFAOYSA-N
XLogP0.44
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid (CID 63642361) is 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid is CCCS(=O)(=O)NC(C)C(=O)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid?
The InChIKey is VYVLEHNHMRWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-3-7-21(19,20)15-8(2)11(16)14-10-6-4-5-9(13-10)12(17)18/h4-6,8,15H,3,7H2,1-2H3,(H,17,18)(H,13,14,16).
What are the key properties of 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid?
6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propylsulfonylamino)propanoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).