5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid

C10H15N3O3S — CID 114407985

IUPAC5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
SMILESCS(=O)CCCNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C10H15N3O3S/c1-17(16)6-2-5-12-9-7(11)3-4-8(13-9)10(14)15/h3-4H,2,5-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyRIXBKJUZUWJOOE-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.54
Rot. Bonds6

About 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid

5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid (PubChem CID 114407985) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
PubChem CID114407985
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
SMILESCS(=O)CCCNc1nc(C(=O)O)ccc1N
InChIInChI=1S/C10H15N3O3S/c1-17(16)6-2-5-12-9-7(11)3-4-8(13-9)10(14)15/h3-4H,2,5-6,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyRIXBKJUZUWJOOE-UHFFFAOYSA-N
XLogP0.54
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
5-amino-6-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 114404952
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169
5-amino-6-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114139636
5-amino-6-(3-ethylpentan-3-ylamino)pyridine-2-carboxylic acid
CID 114406825
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid (CID 114407985) is 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid is CS(=O)CCCNc1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid?
The InChIKey is RIXBKJUZUWJOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-17(16)6-2-5-12-9-7(11)3-4-8(13-9)10(14)15/h3-4H,2,5-6,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid?
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114407985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).