N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C11H16N2O3S — CID 47935706

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCOCCOCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C11H16N2O3S/c1-15-7-8-16-6-5-12-10(14)9-3-2-4-13-11(9)17/h2-4H,5-8H2,1H3,(H,12,14)(H,13,17)
InChIKeyNAFXWNDURXHULI-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.14
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 47935706) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID47935706
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCOCCOCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C11H16N2O3S/c1-15-7-8-16-6-5-12-10(14)9-3-2-4-13-11(9)17/h2-4H,5-8H2,1H3,(H,12,14)(H,13,17)
InChIKeyNAFXWNDURXHULI-UHFFFAOYSA-N
XLogP1.14
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyethoxy)ethyl]-2-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 N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 47935706) is N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is COCCOCCNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is NAFXWNDURXHULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-15-7-8-16-6-5-12-10(14)9-3-2-4-13-11(9)17/h2-4H,5-8H2,1H3,(H,12,14)(H,13,17).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47935706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).