ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate

C12H17BrN2O2 — CID 105368549

IUPACethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1ncc(C)cc1Br
InChIInChI=1S/C12H17BrN2O2/c1-4-15(8-11(16)17-5-2)12-10(13)6-9(3)7-14-12/h6-7H,4-5,8H2,1-3H3
InChIKeyAFEXAZHAEFZJCP-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.54
Rot. Bonds5

About ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate

ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate (PubChem CID 105368549) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
PubChem CID105368549
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Nameethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1ncc(C)cc1Br
InChIInChI=1S/C12H17BrN2O2/c1-4-15(8-11(16)17-5-2)12-10(13)6-9(3)7-14-12/h6-7H,4-5,8H2,1-3H3
InChIKeyAFEXAZHAEFZJCP-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(3-bromo-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 79523362
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
CID 114838168
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
CID 79718546
ethyl 2-[(3-amino-4-methyl-2-pyridinyl)-ethylamino]acetate
CID 114051236
3-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 105366621
ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 62099895
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
ethyl 2-[(5-chloro-2-methoxypyrimidin-4-yl)-ethylamino]acetate
CID 80751895
2-[(3-bromo-5-methyl-2-pyridinyl)-methylamino]-N-ethylacetamide
CID 105367812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate (CID 105368549) is ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate is CCOC(=O)CN(CC)c1ncc(C)cc1Br.
What is the InChIKey of ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate?
The InChIKey is AFEXAZHAEFZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-4-15(8-11(16)17-5-2)12-10(13)6-9(3)7-14-12/h6-7H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate?
ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate has a molecular weight of 301.18 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-5-methyl-2-pyridinyl)-ethylamino]acetate is sourced from PubChem (CID 105368549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).