6-sulfanylidene-1H-pyridine-3-carboxamide

C6H6N2OS — CID 3034072

IUPAC6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=S)[nH]c1
InChIInChI=1S/C6H6N2OS/c7-6(9)4-1-2-5(10)8-3-4/h1-3H,(H2,7,9)(H,8,10)
InChIKeyPWSJCBQLHHENIG-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.84
Rot. Bonds1

About 6-sulfanylidene-1H-pyridine-3-carboxamide

6-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 3034072) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 6-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID3034072
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=S)[nH]c1
InChIInChI=1S/C6H6N2OS/c7-6(9)4-1-2-5(10)8-3-4/h1-3H,(H2,7,9)(H,8,10)
InChIKeyPWSJCBQLHHENIG-UHFFFAOYSA-N
XLogP0.84
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-sulfanylidene-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of 6-sulfanylidene-1H-pyridine-3-carboxamide (CID 3034072) is 6-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-sulfanylidene-1H-pyridine-3-carboxamide is NC(=O)c1ccc(=S)[nH]c1.
What is the InChIKey of 6-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is PWSJCBQLHHENIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c7-6(9)4-1-2-5(10)8-3-4/h1-3H,(H2,7,9)(H,8,10).
What are the key properties of 6-sulfanylidene-1H-pyridine-3-carboxamide?
6-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 154.19 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 3034072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).