N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide

C10H13ClN2OS — CID 107301045

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C10H13ClN2OS/c1-7-8(3-4-9(11)12-7)13-10(14)5-6-15-2/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyLHDPFYFZAZRBNC-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.74
Rot. Bonds4

About N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide

N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide (PubChem CID 107301045) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
PubChem CID107301045
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C10H13ClN2OS/c1-7-8(3-4-9(11)12-7)13-10(14)5-6-15-2/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyLHDPFYFZAZRBNC-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
CID 107300978
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
N-(6-chloro-2-methyl-3-pyridinyl)-2-(tetrazol-1-yl)acetamide
CID 107301047
N-(6-chloro-2-methyl-3-pyridinyl)-3-phenylprop-2-ynamide
CID 107300958
4-chloro-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 28777632
N-(6-chloro-2-methyl-3-pyridinyl)-4-ethylbenzamide
CID 107301269
3-methylsulfanyl-N-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 130652424
4-[(6-chloro-2-methyl-3-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 114049220
N-(6-bromo-2-methyl-3-pyridinyl)-4-methylpentanamide
CID 103909752
4-tert-butyl-N-(6-chloro-2-methyl-3-pyridinyl)benzamide
CID 107301135
N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide
CID 130166556

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide (CID 107301045) is N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide?
The InChIKey is LHDPFYFZAZRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7-8(3-4-9(11)12-7)13-10(14)5-6-15-2/h3-4H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide?
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide has a molecular weight of 244.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 107301045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).