N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide

C7H7N3O2S — CID 91623248

IUPACN-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C7H7N3O2S/c8-7(12)10-5(11)4-2-1-3-9-6(4)13/h1-3H,(H,9,13)(H3,8,10,11,12)
InChIKeyLTYHMJNYLRPUAD-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.55
Rot. Bonds1

About N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide

N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 91623248) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID91623248
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC NameN-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)NC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C7H7N3O2S/c8-7(12)10-5(11)4-2-1-3-9-6(4)13/h1-3H,(H,9,13)(H3,8,10,11,12)
InChIKeyLTYHMJNYLRPUAD-UHFFFAOYSA-N
XLogP0.55
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxypyridine-3-carbothioamide
CID 43165067
2-Mercaptonicotinamide
CID 4143093
2-sulfinyl-1H-pyridine-3-carboxamide
CID 22574509
N-(3-amino-3-oxopropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 88873602
2-sulfanylidene-1H-pyridine-3-carboxamide;hydrobromide
CID 153363415

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 91623248) is N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide is NC(=O)NC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is LTYHMJNYLRPUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c8-7(12)10-5(11)4-2-1-3-9-6(4)13/h1-3H,(H,9,13)(H3,8,10,11,12).
What are the key properties of N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 197.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91623248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).