5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide

C9H9N5O2S — CID 62254694

IUPAC5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide
SMILESCc1nnc(Sc2ncc(N)cc2C(N)=O)o1
InChIInChI=1S/C9H9N5O2S/c1-4-13-14-9(16-4)17-8-6(7(11)15)2-5(10)3-12-8/h2-3H,10H2,1H3,(H2,11,15)
InChIKeyVQINRRYGZNBWHT-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.61
Rot. Bonds3

About 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide

5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide (PubChem CID 62254694) has the molecular formula C9H9N5O2S and a molecular weight of 251.27 g/mol. Its IUPAC name is 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide
PubChem CID62254694
Molecular FormulaC9H9N5O2S
Molecular Weight251.27 g/mol
Exact Mass251.05
IUPAC Name5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide
SMILESCc1nnc(Sc2ncc(N)cc2C(N)=O)o1
InChIInChI=1S/C9H9N5O2S/c1-4-13-14-9(16-4)17-8-6(7(11)15)2-5(10)3-12-8/h2-3H,10H2,1H3,(H2,11,15)
InChIKeyVQINRRYGZNBWHT-UHFFFAOYSA-N
XLogP0.61
TPSA120.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide (CID 62254694) is 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide is Cc1nnc(Sc2ncc(N)cc2C(N)=O)o1.
What is the InChIKey of 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide?
The InChIKey is VQINRRYGZNBWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2S/c1-4-13-14-9(16-4)17-8-6(7(11)15)2-5(10)3-12-8/h2-3H,10H2,1H3,(H2,11,15).
What are the key properties of 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide?
5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide has a molecular weight of 251.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 62254694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).