ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate

C19H21BrN2O4 — CID 23453094

IUPACethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CCNC(=O)c2cc(Br)cnc2OC)cc1
InChIInChI=1S/C19H21BrN2O4/c1-3-26-17(23)10-14-6-4-13(5-7-14)8-9-21-18(24)16-11-15(20)12-22-19(16)25-2/h4-7,11-12H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyINODVWJXZGVPKE-UHFFFAOYSA-N
MW421.29 g/mol
LogP2.93
Rot. Bonds8

About ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate

ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate (PubChem CID 23453094) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate
PubChem CID23453094
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Nameethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CCNC(=O)c2cc(Br)cnc2OC)cc1
InChIInChI=1S/C19H21BrN2O4/c1-3-26-17(23)10-14-6-4-13(5-7-14)8-9-21-18(24)16-11-15(20)12-22-19(16)25-2/h4-7,11-12H,3,8-10H2,1-2H3,(H,21,24)
InChIKeyINODVWJXZGVPKE-UHFFFAOYSA-N
XLogP2.93
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate with MolForge

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Related Compounds

5-bromo-2-methoxy-N-methylpyridine-3-carboxamide
CID 25114918
5-bromo-2-methoxypyridine-3-carboxamide
CID 70281718
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
3-bromo-N-[2-(4-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104851757
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate (CID 23453094) is ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate is CCOC(=O)Cc1ccc(CCNC(=O)c2cc(Br)cnc2OC)cc1.
What is the InChIKey of ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate?
The InChIKey is INODVWJXZGVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-3-26-17(23)10-14-6-4-13(5-7-14)8-9-21-18(24)16-11-15(20)12-22-19(16)25-2/h4-7,11-12H,3,8-10H2,1-2H3,(H,21,24).
What are the key properties of ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate?
ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate has a molecular weight of 421.29 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-[(5-bromo-2-methoxypyridine-3-carbonyl)amino]ethyl]phenyl]acetate is sourced from PubChem (CID 23453094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).