2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide

C12H19BrN4O2 — CID 104506622

IUPAC2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C12H19BrN4O2/c1-8-9(14)6-16-12(11(8)13)17(2)7-10(18)15-4-5-19-3/h6H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyNWMRLPFENDEGPZ-UHFFFAOYSA-N
MW331.21 g/mol
LogP0.93
Rot. Bonds6

About 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 104506622) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID104506622
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ncc(N)c(C)c1Br
InChIInChI=1S/C12H19BrN4O2/c1-8-9(14)6-16-12(11(8)13)17(2)7-10(18)15-4-5-19-3/h6H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyNWMRLPFENDEGPZ-UHFFFAOYSA-N
XLogP0.93
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 114071706
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 113420435
6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid
CID 80632539
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
2-[(4-chloro-1,2,5-thiadiazol-3-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 60726164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 104506622) is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1ncc(N)c(C)c1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is NWMRLPFENDEGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c1-8-9(14)6-16-12(11(8)13)17(2)7-10(18)15-4-5-19-3/h6H,4-5,7,14H2,1-3H3,(H,15,18).
What are the key properties of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 331.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 104506622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).