N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide

C12H17BrN2O — CID 69165507

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H17BrN2O/c1-5-12(3,4)11(16)15-10-7-6-9(13)8(2)14-10/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyRDGCNQSHAMBKNH-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.53
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide (PubChem CID 69165507) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
PubChem CID69165507
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H17BrN2O/c1-5-12(3,4)11(16)15-10-7-6-9(13)8(2)14-10/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyRDGCNQSHAMBKNH-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305
N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
CID 79048196
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122061079
N-(2-bromo-5-methylphenyl)-2,2-dimethylbutanamide
CID 82706728
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide (CID 69165507) is N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide?
The InChIKey is RDGCNQSHAMBKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-5-12(3,4)11(16)15-10-7-6-9(13)8(2)14-10/h6-7H,5H2,1-4H3,(H,14,15,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 69165507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).