5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid

C10H15N3O4S — CID 81439673

IUPAC5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CCCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C10H15N3O4S/c1-18(16,17)4-2-3-12-9-8(11)5-7(6-13-9)10(14)15/h5-6H,2-4,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyWYTJOKJOMMJOLK-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.21
Rot. Bonds6

About 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid

5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid (PubChem CID 81439673) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
PubChem CID81439673
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
SMILESCS(=O)(=O)CCCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C10H15N3O4S/c1-18(16,17)4-2-3-12-9-8(11)5-7(6-13-9)10(14)15/h5-6H,2-4,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyWYTJOKJOMMJOLK-UHFFFAOYSA-N
XLogP0.21
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81439291
5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid
CID 82469001
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186890
5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81439435
5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439410
5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81438945
5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 114129018
5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114126633
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
5-amino-6-(octan-4-ylamino)pyridine-3-carboxylic acid
CID 106028468

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid (CID 81439673) is 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid is CS(=O)(=O)CCCNc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is WYTJOKJOMMJOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-18(16,17)4-2-3-12-9-8(11)5-7(6-13-9)10(14)15/h5-6H,2-4,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid?
5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81439673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).