N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide

C11H16N2O2S — CID 18167812

IUPACN-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C11H16N2O2S/c1-2-15-8-4-7-12-10(14)9-5-3-6-13-11(9)16/h3,5-6H,2,4,7-8H2,1H3,(H,12,14)(H,13,16)
InChIKeyDRZGVDUJDIEQFC-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.90
Rot. Bonds6

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

N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 18167812) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID18167812
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCCOCCCNC(=O)c1ccc[nH]c1=S
InChIInChI=1S/C11H16N2O2S/c1-2-15-8-4-7-12-10(14)9-5-3-6-13-11(9)16/h3,5-6H,2,4,7-8H2,1H3,(H,12,14)(H,13,16)
InChIKeyDRZGVDUJDIEQFC-UHFFFAOYSA-N
XLogP1.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-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-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 18167812) is N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is CCOCCCNC(=O)c1ccc[nH]c1=S.
What is the InChIKey of N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is DRZGVDUJDIEQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-15-8-4-7-12-10(14)9-5-3-6-13-11(9)16/h3,5-6H,2,4,7-8H2,1H3,(H,12,14)(H,13,16).
What are the key properties of N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18167812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).