4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide

C9H10N4OS — CID 118991756

IUPAC4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1nc(C)c(C(N)=O)c(N)c1C#N
InChIInChI=1S/C9H10N4OS/c1-4-6(8(12)14)7(11)5(3-10)9(13-4)15-2/h1-2H3,(H2,11,13)(H2,12,14)
InChIKeyCHNJTQIRQSZQEQ-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.66
Rot. Bonds2

About 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide

4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide (PubChem CID 118991756) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide
PubChem CID118991756
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide
SMILESCSc1nc(C)c(C(N)=O)c(N)c1C#N
InChIInChI=1S/C9H10N4OS/c1-4-6(8(12)14)7(11)5(3-10)9(13-4)15-2/h1-2H3,(H2,11,13)(H2,12,14)
InChIKeyCHNJTQIRQSZQEQ-UHFFFAOYSA-N
XLogP0.66
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide (CID 118991756) is 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide is CSc1nc(C)c(C(N)=O)c(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide?
The InChIKey is CHNJTQIRQSZQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-4-6(8(12)14)7(11)5(3-10)9(13-4)15-2/h1-2H3,(H2,11,13)(H2,12,14).
What are the key properties of 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide?
4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-methyl-6-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 118991756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).