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

C11H16BrN3O2 — CID 79734820

IUPAC2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H16BrN3O2/c1-7-5-10(14-6-8(7)12)15-11(16)9(13)3-4-17-2/h5-6,9H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyPDMGLTHKPNCENW-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.45
Rot. Bonds5

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

2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide (PubChem CID 79734820) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
PubChem CID79734820
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C11H16BrN3O2/c1-7-5-10(14-6-8(7)12)15-11(16)9(13)3-4-17-2/h5-6,9H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyPDMGLTHKPNCENW-UHFFFAOYSA-N
XLogP1.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
2-amino-N-(4-bromo-3,5-dimethylphenyl)-4-methoxybutanamide
CID 107574238
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 79734521
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 75494689
2-amino-5-methoxy-N-(5-methyl-2-pyridinyl)pentanamide
CID 81080952
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-methoxypentanamide
CID 81102470
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
CID 79733322

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide (CID 79734820) is 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide is COCCC(N)C(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide?
The InChIKey is PDMGLTHKPNCENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7-5-10(14-6-8(7)12)15-11(16)9(13)3-4-17-2/h5-6,9H,3-4,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide?
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide has a molecular weight of 302.17 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide is sourced from PubChem (CID 79734820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).