5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide

C10H12Cl2N2O2S — CID 115627342

IUPAC5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
SMILESCCS(=O)CCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2S/c1-2-17(16)4-3-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeyKXFNZFMSZKKRFS-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.89
Rot. Bonds5

About 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide (PubChem CID 115627342) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
PubChem CID115627342
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
SMILESCCS(=O)CCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2S/c1-2-17(16)4-3-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeyKXFNZFMSZKKRFS-UHFFFAOYSA-N
XLogP1.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5,6-dichloro-N-(2-ethylsulfinylethyl)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

Related Compounds

N-(2-ethylsulfinylethyl)-5-hydroxypyridine-3-carboxamide
CID 115633331
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 103719279
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
CID 103826993
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
5,6-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 115590920
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide (CID 115627342) is 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide is CCS(=O)CCNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide?
The InChIKey is KXFNZFMSZKKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c1-2-17(16)4-3-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,2-4H2,1H3,(H,13,15).
What are the key properties of 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide has a molecular weight of 295.19 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115627342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).