2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide

C12H18BrN3O — CID 112555732

IUPAC2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCc1nc(NC(=O)C(N)C(C)(C)C)ccc1Br
InChIInChI=1S/C12H18BrN3O/c1-7-8(13)5-6-9(15-7)16-11(17)10(14)12(2,3)4/h5-6,10H,14H2,1-4H3,(H,15,16,17)
InChIKeyJBKDIDCKRBJMOX-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.46
Rot. Bonds2

About 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide (PubChem CID 112555732) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
PubChem CID112555732
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
SMILESCc1nc(NC(=O)C(N)C(C)(C)C)ccc1Br
InChIInChI=1S/C12H18BrN3O/c1-7-8(13)5-6-9(15-7)16-11(17)10(14)12(2,3)4/h5-6,10H,14H2,1-4H3,(H,15,16,17)
InChIKeyJBKDIDCKRBJMOX-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-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-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
CID 119050352
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
N-(5-bromo-6-methyl-2-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
CID 79048196

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide (CID 112555732) is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide is Cc1nc(NC(=O)C(N)C(C)(C)C)ccc1Br.
What is the InChIKey of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide?
The InChIKey is JBKDIDCKRBJMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-7-8(13)5-6-9(15-7)16-11(17)10(14)12(2,3)4/h5-6,10H,14H2,1-4H3,(H,15,16,17).
What are the key properties of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide?
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide has a molecular weight of 300.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 112555732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).