4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid

C7H10N4O4S — CID 5278297

IUPAC4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid
SMILESCS(=O)(=O)Nc1c(N)cc(C(=O)O)nc1N
InChIInChI=1S/C7H10N4O4S/c1-16(14,15)11-5-3(8)2-4(7(12)13)10-6(5)9/h2,11H,1H3,(H,12,13)(H4,8,9,10)
InChIKeyHGVYBQLODWERBT-UHFFFAOYSA-N
MW246.25 g/mol
LogP-0.68
Rot. Bonds3

About 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid

4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid (PubChem CID 5278297) has the molecular formula C7H10N4O4S and a molecular weight of 246.25 g/mol. Its IUPAC name is 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid
PubChem CID5278297
Molecular FormulaC7H10N4O4S
Molecular Weight246.25 g/mol
Exact Mass246.04
IUPAC Name4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid
SMILESCS(=O)(=O)Nc1c(N)cc(C(=O)O)nc1N
InChIInChI=1S/C7H10N4O4S/c1-16(14,15)11-5-3(8)2-4(7(12)13)10-6(5)9/h2,11H,1H3,(H,12,13)(H4,8,9,10)
InChIKeyHGVYBQLODWERBT-UHFFFAOYSA-N
XLogP-0.68
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid?
The IUPAC name of 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid (CID 5278297) is 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid.
What is the SMILES notation for 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid?
The canonical SMILES for 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid is CS(=O)(=O)Nc1c(N)cc(C(=O)O)nc1N.
What is the InChIKey of 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid?
The InChIKey is HGVYBQLODWERBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4S/c1-16(14,15)11-5-3(8)2-4(7(12)13)10-6(5)9/h2,11H,1H3,(H,12,13)(H4,8,9,10).
What are the key properties of 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid?
4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid has a molecular weight of 246.25 g/mol, XLogP of -0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-5-(methanesulfonamido)pyridine-2-carboxylic acid is sourced from PubChem (CID 5278297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).