ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate

C12H17BrN2O2 — CID 79718648

IUPACethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1ncc(Br)cc1C
InChIInChI=1S/C12H17BrN2O2/c1-4-17-11(16)5-6-15(3)12-9(2)7-10(13)8-14-12/h7-8H,4-6H2,1-3H3
InChIKeyGYOKMIHAWAPNPC-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.54
Rot. Bonds5

About ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate

ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate (PubChem CID 79718648) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
PubChem CID79718648
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Nameethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)c1ncc(Br)cc1C
InChIInChI=1S/C12H17BrN2O2/c1-4-17-11(16)5-6-15(3)12-9(2)7-10(13)8-14-12/h7-8H,4-6H2,1-3H3
InChIKeyGYOKMIHAWAPNPC-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 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate 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-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]acetate
CID 79718647
ethyl 3-[(3,5-difluoro-2-pyridinyl)-methylamino]propanoate
CID 112676422
ethyl 3-[(5-bromo-4-methyl-2-pyridinyl)-methylamino]propanoate
CID 115899127
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 112698994
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)-ethylamino]acetate
CID 79718546
ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
CID 55209509
5-bromo-N,3-dimethyl-N-[2-(4-methylphenyl)ethyl]pyridin-2-amine
CID 115148671
ethyl 3-[(5-amino-6-chloropyrimidin-4-yl)-methylamino]propanoate
CID 114074473
ethyl 2-[[5-bromo-2-(dimethylamino)-3-pyridinyl]-formylamino]acetate
CID 163574241
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylpyridin-2-amine
CID 112699079
5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81055009

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate (CID 79718648) is ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate is CCOC(=O)CCN(C)c1ncc(Br)cc1C.
What is the InChIKey of ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate?
The InChIKey is GYOKMIHAWAPNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-4-17-11(16)5-6-15(3)12-9(2)7-10(13)8-14-12/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate?
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate 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 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate is sourced from PubChem (CID 79718648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).