5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide

C12H18BrN3O — CID 104685319

IUPAC5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
SMILESCc1cc(NC(=O)C(C)CCCN)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(4-3-5-14)12(17)16-11-6-9(2)10(13)7-15-11/h6-8H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyZCGSXVREXHDLME-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.47
Rot. Bonds5

About 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide

5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide (PubChem CID 104685319) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
PubChem CID104685319
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
SMILESCc1cc(NC(=O)C(C)CCCN)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(4-3-5-14)12(17)16-11-6-9(2)10(13)7-15-11/h6-8H,3-5,14H2,1-2H3,(H,15,16,17)
InChIKeyZCGSXVREXHDLME-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 79734521
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 75494689
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2-methylpentanamide
CID 113441079
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
CID 79733322
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide (CID 104685319) is 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide is Cc1cc(NC(=O)C(C)CCCN)ncc1Br.
What is the InChIKey of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
The InChIKey is ZCGSXVREXHDLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(4-3-5-14)12(17)16-11-6-9(2)10(13)7-15-11/h6-8H,3-5,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide?
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide has a molecular weight of 300.20 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide is sourced from PubChem (CID 104685319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).