ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate

C12H15BrN2O3 — CID 54949215

IUPACethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cncc(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-3-15(8-11(16)18-4-2)12(17)9-5-10(13)7-14-6-9/h5-7H,3-4,8H2,1-2H3
InChIKeyZFQIPVFLFHDODB-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.87
Rot. Bonds5

About ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate

ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate (PubChem CID 54949215) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
PubChem CID54949215
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Nameethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cncc(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-3-15(8-11(16)18-4-2)12(17)9-5-10(13)7-14-6-9/h5-7H,3-4,8H2,1-2H3
InChIKeyZFQIPVFLFHDODB-UHFFFAOYSA-N
XLogP1.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
ethyl 2-[(5-bromothiophene-3-carbonyl)-ethylamino]acetate
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5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
CID 81227208
ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
5-bromo-N,N-dihexylpyridine-3-carboxamide
CID 132587531
N-(4-aminophenyl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 63230213
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-methylpyridine-3-carboxamide
CID 77072803
5-bromo-N-(2-chloroacetyl)pyridine-3-carbohydrazide
CID 91094439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate (CID 54949215) is ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)c1cncc(Br)c1.
What is the InChIKey of ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate?
The InChIKey is ZFQIPVFLFHDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-3-15(8-11(16)18-4-2)12(17)9-5-10(13)7-14-6-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate?
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate has a molecular weight of 315.17 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 54949215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).