2-sulfanylidene-1H-pyridine-4-carboxamide

C6H6N2OS — CID 70654724

IUPAC2-sulfanylidene-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc[nH]c(=S)c1
InChIInChI=1S/C6H6N2OS/c7-6(9)4-1-2-8-5(10)3-4/h1-3H,(H2,7,9)(H,8,10)
InChIKeyOFKBYKHFMXAXSG-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.84
Rot. Bonds1

About 2-sulfanylidene-1H-pyridine-4-carboxamide

2-sulfanylidene-1H-pyridine-4-carboxamide (PubChem CID 70654724) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-4-carboxamide
PubChem CID70654724
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-sulfanylidene-1H-pyridine-4-carboxamide
SMILESNC(=O)c1cc[nH]c(=S)c1
InChIInChI=1S/C6H6N2OS/c7-6(9)4-1-2-8-5(10)3-4/h1-3H,(H2,7,9)(H,8,10)
InChIKeyOFKBYKHFMXAXSG-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'}

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Related Compounds

6-Mercaptonicotinamide
CID 3034072
2-Hydroxypyridine-3-carbothioamide
CID 43165067
2-Oxo-1,2-dihydropyridine-4-carboxamide
CID 2762509
2-Hydroxypyridine-4-carbothioamide
CID 43165068
2-Mercaptonicotinamide
CID 4143093
1,2-Dihydropyridine-4-carboxamide
CID 5231523
N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 13502197
N,N-dimethyl-2-sulfanylidene-1H-pyridine-4-carboxamide
CID 19890280
2-sulfinyl-1H-pyridine-3-carboxamide
CID 22574509
6-Hydroxypyridine-3-carbothioamide
CID 43165069
5-amino-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 61358815
2-sulfanylidene-1H-pyridine-4-carbaldehyde
CID 139910527

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-1H-pyridine-4-carboxamide?
The IUPAC name of 2-sulfanylidene-1H-pyridine-4-carboxamide (CID 70654724) is 2-sulfanylidene-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-4-carboxamide is NC(=O)c1cc[nH]c(=S)c1.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-4-carboxamide?
The InChIKey is OFKBYKHFMXAXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c7-6(9)4-1-2-8-5(10)3-4/h1-3H,(H2,7,9)(H,8,10).
What are the key properties of 2-sulfanylidene-1H-pyridine-4-carboxamide?
2-sulfanylidene-1H-pyridine-4-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 2-sulfanylidene-1H-pyridine-4-carboxamide is sourced from PubChem (CID 70654724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).