2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide

C12H18BrN3O — CID 113246337

IUPAC2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H18BrN3O/c1-3-4-5-10(14)12(17)16-11-7-6-9(13)8(2)15-11/h6-7,10H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyMUIRBCLCQOMGTL-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.61
Rot. Bonds5

About 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide (PubChem CID 113246337) 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)hexanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
PubChem CID113246337
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H18BrN3O/c1-3-4-5-10(14)12(17)16-11-7-6-9(13)8(2)15-11/h6-7,10H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyMUIRBCLCQOMGTL-UHFFFAOYSA-N
XLogP2.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 79048870
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
(2S)-2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3-phenylpropanamide
CID 79048264
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
2-amino-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 104893300
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
2-amino-N-(4,6-dimethylpyrimidin-2-yl)hexanamide
CID 113224306
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide?
The IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide (CID 113246337) is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide?
The canonical SMILES for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide is CCCCC(N)C(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide?
The InChIKey is MUIRBCLCQOMGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-4-5-10(14)12(17)16-11-7-6-9(13)8(2)15-11/h6-7,10H,3-5,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide?
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide has a molecular weight of 300.20 g/mol, XLogP of 2.61, 5 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)hexanamide is sourced from PubChem (CID 113246337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).