5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide

C10H12Cl2N2OS — CID 63964074

IUPAC5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSCCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2OS/c1-16-4-2-3-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeySHGVJBNWHOIYJU-UHFFFAOYSA-N
MW279.19 g/mol
LogP2.87
Rot. Bonds5

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

5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 63964074) has the molecular formula C10H12Cl2N2OS and a molecular weight of 279.19 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID63964074
Molecular FormulaC10H12Cl2N2OS
Molecular Weight279.19 g/mol
Exact Mass278.00
IUPAC Name5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSCCCNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2OS/c1-16-4-2-3-13-10(15)7-5-8(11)9(12)14-6-7/h5-6H,2-4H2,1H3,(H,13,15)
InChIKeySHGVJBNWHOIYJU-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 52.87
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

5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5,6-dichloro-N-(4-cyanobutyl)pyridine-3-carboxamide
CID 63284447
5,6-dichloro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115491613
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 103614113
5,6-dichloro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 113382032
5,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113239579
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
CID 115627342

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide (CID 63964074) is 5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide is CSCCCNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is SHGVJBNWHOIYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2OS/c1-16-4-2-3-13-10(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-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 279.19 g/mol, XLogP of 2.87, 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-(3-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 63964074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).