N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C8H9N3O2S — CID 87674263

IUPACN-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H9N3O2S/c9-6(12)4-11-7(13)5-2-1-3-10-8(5)14/h1-3H,4H2,(H2,9,12)(H,10,14)(H,11,13)
InChIKeyDVNUNTNIWQAXPR-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.04
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 87674263) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID87674263
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC NameN-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C8H9N3O2S/c9-6(12)4-11-7(13)5-2-1-3-10-8(5)14/h1-3H,4H2,(H2,9,12)(H,10,14)(H,11,13)
InChIKeyDVNUNTNIWQAXPR-UHFFFAOYSA-N
XLogP-0.04
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 87674263) is N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is NC(=O)CNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is DVNUNTNIWQAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-6(12)4-11-7(13)5-2-1-3-10-8(5)14/h1-3H,4H2,(H2,9,12)(H,10,14)(H,11,13).
What are the key properties of N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 211.25 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 87674263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).