N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide

C10H13BrN2O3S — CID 112697409

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
SMILESCc1cc(NC(=O)C(C)S(C)(=O)=O)ncc1Br
InChIInChI=1S/C10H13BrN2O3S/c1-6-4-9(12-5-8(6)11)13-10(14)7(2)17(3,15)16/h4-5,7H,1-3H3,(H,12,13,14)
InChIKeyYADAVYSQHIYWFT-UHFFFAOYSA-N
MW321.20 g/mol
LogP1.52
Rot. Bonds3

About N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide (PubChem CID 112697409) has the molecular formula C10H13BrN2O3S and a molecular weight of 321.20 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
PubChem CID112697409
Molecular FormulaC10H13BrN2O3S
Molecular Weight321.20 g/mol
Exact Mass319.98
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
SMILESCc1cc(NC(=O)C(C)S(C)(=O)=O)ncc1Br
InChIInChI=1S/C10H13BrN2O3S/c1-6-4-9(12-5-8(6)11)13-10(14)7(2)17(3,15)16/h4-5,7H,1-3H3,(H,12,13,14)
InChIKeyYADAVYSQHIYWFT-UHFFFAOYSA-N
XLogP1.52
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 79734521
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 75494689
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
N-(4-bromo-2,6-dimethylphenyl)-2-methylsulfonylpropanamide
CID 112690775
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide (CID 112697409) is N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide is Cc1cc(NC(=O)C(C)S(C)(=O)=O)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
The InChIKey is YADAVYSQHIYWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S/c1-6-4-9(12-5-8(6)11)13-10(14)7(2)17(3,15)16/h4-5,7H,1-3H3,(H,12,13,14).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide has a molecular weight of 321.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 112697409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).