N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide

C11H15BrN2OS — CID 171456805

IUPACN-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCSc1cc(Br)cnc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15BrN2OS/c1-11(2,3)10(15)14-9-8(16-4)5-7(12)6-13-9/h5-6H,1-4H3,(H,13,14,15)
InChIKeyWWOYRLUDJKXSRZ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.55
Rot. Bonds2

About N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide

N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 171456805) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID171456805
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCSc1cc(Br)cnc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15BrN2OS/c1-11(2,3)10(15)14-9-8(16-4)5-7(12)6-13-9/h5-6H,1-4H3,(H,13,14,15)
InChIKeyWWOYRLUDJKXSRZ-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
N-(6-bromo-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
CID 135577900
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
N-(4-bromo-6-chloropyridazin-3-yl)-2,2-dimethylpropanamide
CID 127119625
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
5-bromo-N-tert-butyl-2-(methylamino)pyridine-3-carboxamide
CID 62172702
N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 83171017
N-(5-bromo-3-methyl-2-pyridinyl)-2-carbamothioyl-2-ethylbutanamide
CID 83170222
N-(5-bromo-2-fluorophenyl)-2,2-dimethylpropanamide
CID 63939054
(2R)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 104908962

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide (CID 171456805) is N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide is CSc1cc(Br)cnc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is WWOYRLUDJKXSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-11(2,3)10(15)14-9-8(16-4)5-7(12)6-13-9/h5-6H,1-4H3,(H,13,14,15).
What are the key properties of N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide?
N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methylsulfanyl-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 171456805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).