N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide

C13H10Cl2N2OS — CID 592341

IUPACN-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c1-19-12-2-3-16-7-11(12)13(18)17-10-5-8(14)4-9(15)6-10/h2-7H,1H3,(H,17,18)
InChIKeyCIJKNJKAZJJHNG-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.36
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide

N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide (PubChem CID 592341) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide
PubChem CID592341
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC NameN-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c1-19-12-2-3-16-7-11(12)13(18)17-10-5-8(14)4-9(15)6-10/h2-7H,1H3,(H,17,18)
InChIKeyCIJKNJKAZJJHNG-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide (CID 592341) is N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide is CSc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide?
The InChIKey is CIJKNJKAZJJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c1-19-12-2-3-16-7-11(12)13(18)17-10-5-8(14)4-9(15)6-10/h2-7H,1H3,(H,17,18).
What are the key properties of N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide?
N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide has a molecular weight of 313.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 592341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).