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

C12H18BrN3O — CID 79814305

IUPAC2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H18BrN3O/c1-4-12(14,5-2)11(17)16-10-7-6-9(13)8(3)15-10/h6-7H,4-5,14H2,1-3H3,(H,15,16,17)
InChIKeyPOXPBULVHXESTK-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.61
Rot. Bonds4

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

2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide (PubChem CID 79814305) 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)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
PubChem CID79814305
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1ccc(Br)c(C)n1
InChIInChI=1S/C12H18BrN3O/c1-4-12(14,5-2)11(17)16-10-7-6-9(13)8(3)15-10/h6-7H,4-5,14H2,1-3H3,(H,15,16,17)
InChIKeyPOXPBULVHXESTK-UHFFFAOYSA-N
XLogP2.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-3,3-dimethylbutanamide
CID 112555732
N-(5-bromo-6-methyl-2-pyridinyl)nonanamide
CID 79048735
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)hexanamide
CID 113246337
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropropanamide
CID 79018492
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-2,3,3,3-tetrafluoropropanamide
CID 119050352
N-(5-bromo-6-methyl-2-pyridinyl)-2,3-dihydroxybenzamide
CID 114343707

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide (CID 79814305) is 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1ccc(Br)c(C)n1.
What is the InChIKey of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide?
The InChIKey is POXPBULVHXESTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-4-12(14,5-2)11(17)16-10-7-6-9(13)8(3)15-10/h6-7H,4-5,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide?
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide has a molecular weight of 300.20 g/mol, XLogP of 2.61, 4 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)-2-ethylbutanamide is sourced from PubChem (CID 79814305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).