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

C11H15BrN2O — CID 42553022

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1cc(Br)cnc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15BrN2O/c1-7-5-8(12)6-13-9(7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKeyDJAJPKVIGCOGCY-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.14
Rot. Bonds1

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

N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 42553022) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide
PubChem CID42553022
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide
SMILESCc1cc(Br)cnc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15BrN2O/c1-7-5-8(12)6-13-9(7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKeyDJAJPKVIGCOGCY-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide (CID 42553022) is N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide is Cc1cc(Br)cnc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is DJAJPKVIGCOGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-7-5-8(12)6-13-9(7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 271.16 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 42553022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).