N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide

C11H15N3O2S — CID 114040133

IUPACN-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)N(CC(N)=S)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H15N3O2S/c1-7(2)14(6-9(12)17)11(16)8-4-3-5-10(15)13-8/h3-5,7H,6H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeyBLFLYWVLTQJCGW-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.51
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide

N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (PubChem CID 114040133) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
PubChem CID114040133
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)N(CC(N)=S)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H15N3O2S/c1-7(2)14(6-9(12)17)11(16)8-4-3-5-10(15)13-8/h3-5,7H,6H2,1-2H3,(H2,12,17)(H,13,15)
InChIKeyBLFLYWVLTQJCGW-UHFFFAOYSA-N
XLogP0.51
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-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 N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide (CID 114040133) is N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is CC(C)N(CC(N)=S)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
The InChIKey is BLFLYWVLTQJCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(2)14(6-9(12)17)11(16)8-4-3-5-10(15)13-8/h3-5,7H,6H2,1-2H3,(H2,12,17)(H,13,15).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide?
N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).