N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide

C10H14BrN3O — CID 106875503

IUPACN-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(C)c1Br
InChIInChI=1S/C10H14BrN3O/c1-7-3-4-13-10(9(7)11)14-6-5-12-8(2)15/h3-4H,5-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRXYKMPJZOAZOIA-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.70
Rot. Bonds4

About N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide

N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 106875503) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
PubChem CID106875503
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC NameN-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccc(C)c1Br
InChIInChI=1S/C10H14BrN3O/c1-7-3-4-13-10(9(7)11)14-6-5-12-8(2)15/h3-4H,5-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRXYKMPJZOAZOIA-UHFFFAOYSA-N
XLogP1.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
methyl 6-[(3-bromo-4-methyl-2-pyridinyl)amino]hexanoate
CID 106878486
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
N-(3-bromo-4-methyl-2-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 106875424
3-bromo-4-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 106875469
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522
N-[2-[(3-amino-4-methyl-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
CID 82331288
3-bromo-N-(2,3-dimethylbutyl)-4-methylpyridin-2-amine
CID 106875769
3-bromo-N-(2-ethylbutyl)-4-methylpyridin-2-amine
CID 106875971
3-bromo-N-tert-butyl-4-methylpyridin-2-amine
CID 106876455
N-[2-[(5-amino-7-fluoroisoquinolin-1-yl)amino]ethyl]acetamide
CID 82570423

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide (CID 106875503) is N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide is CC(=O)NCCNc1nccc(C)c1Br.
What is the InChIKey of N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is RXYKMPJZOAZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-3-4-13-10(9(7)11)14-6-5-12-8(2)15/h3-4H,5-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide?
N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 272.15 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-4-methyl-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 106875503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).