5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide

C11H9N7OS — CID 114409591

IUPAC5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C11H9N7OS/c12-5-1-2-6(8(13)19)18-10(5)20-11-7-9(15-3-14-7)16-4-17-11/h1-4H,12H2,(H2,13,19)(H,14,15,16,17)
InChIKeyFLBKVGKOVUZKHS-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.58
Rot. Bonds3

About 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide

5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide (PubChem CID 114409591) has the molecular formula C11H9N7OS and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
PubChem CID114409591
Molecular FormulaC11H9N7OS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C11H9N7OS/c12-5-1-2-6(8(13)19)18-10(5)20-11-7-9(15-3-14-7)16-4-17-11/h1-4H,12H2,(H2,13,19)(H,14,15,16,17)
InChIKeyFLBKVGKOVUZKHS-UHFFFAOYSA-N
XLogP0.58
TPSA136.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide (CID 114409591) is 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(Sc2ncnc3nc[nH]c23)n1.
What is the InChIKey of 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide?
The InChIKey is FLBKVGKOVUZKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7OS/c12-5-1-2-6(8(13)19)18-10(5)20-11-7-9(15-3-14-7)16-4-17-11/h1-4H,12H2,(H2,13,19)(H,14,15,16,17).
What are the key properties of 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide?
5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(7H-purin-6-ylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 114409591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).