2-methylsulfanylpyridine-3-carboxamide

C7H8N2OS — CID 2774544

IUPAC2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(N)=O
InChIInChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
InChIKeyYDYXNHSKBIZKFD-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.90
Rot. Bonds2

About 2-methylsulfanylpyridine-3-carboxamide

2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2774544) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanylpyridine-3-carboxamide
PubChem CID2774544
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(N)=O
InChIInChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
InChIKeyYDYXNHSKBIZKFD-UHFFFAOYSA-N
XLogP0.90
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanylpyridine-3-carboxamide (CID 2774544) is 2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(N)=O.
What is the InChIKey of 2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is YDYXNHSKBIZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10).
What are the key properties of 2-methylsulfanylpyridine-3-carboxamide?
2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 168.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2774544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).