3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide

C10H12Cl2N2O2S — CID 115619986

IUPAC3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
SMILESCS(=O)CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O2S/c1-17(16)6-2-5-13-10(15)9-7(11)3-4-8(12)14-9/h3-4H,2,5-6H2,1H3,(H,13,15)
InChIKeyIKLPXLAOXHBQOP-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.89
Rot. Bonds5

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

3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide (PubChem CID 115619986) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
PubChem CID115619986
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC Name3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
SMILESCS(=O)CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O2S/c1-17(16)6-2-5-13-10(15)9-7(11)3-4-8(12)14-9/h3-4H,2,5-6H2,1H3,(H,13,15)
InChIKeyIKLPXLAOXHBQOP-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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
3-bromo-4-chloro-N-(3-methylsulfinylpropyl)benzamide
CID 103842015
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
CID 106687268
3,6-dichloropyridine-2-carbohydrazide
CID 45278328

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide (CID 115619986) is 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide is CS(=O)CCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide?
The InChIKey is IKLPXLAOXHBQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c1-17(16)6-2-5-13-10(15)9-7(11)3-4-8(12)14-9/h3-4H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-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 3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 115619986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).