N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C10H14N2O2S — CID 78856548

IUPACN-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CCO)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H14N2O2S/c1-2-12(6-7-13)10(14)8-4-3-5-11-9(8)15/h3-5,13H,2,6-7H2,1H3,(H,11,15)
InChIKeyDCVAFKJAJJKFFY-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.20
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 78856548) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID78856548
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCN(CCO)C(=O)c1ccc[nH]c1=S
InChIInChI=1S/C10H14N2O2S/c1-2-12(6-7-13)10(14)8-4-3-5-11-9(8)15/h3-5,13H,2,6-7H2,1H3,(H,11,15)
InChIKeyDCVAFKJAJJKFFY-UHFFFAOYSA-N
XLogP1.20
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 78856548) is N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is CCN(CCO)C(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is DCVAFKJAJJKFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-12(6-7-13)10(14)8-4-3-5-11-9(8)15/h3-5,13H,2,6-7H2,1H3,(H,11,15).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 78856548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).