2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate

C16H21BrN2O4 — CID 75400870

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate
SMILESO=C(CN1CCCCCCC1=O)OCCn1cc(Br)ccc1=O
InChIInChI=1S/C16H21BrN2O4/c17-13-6-7-15(21)19(11-13)9-10-23-16(22)12-18-8-4-2-1-3-5-14(18)20/h6-7,11H,1-5,8-10,12H2
InChIKeyQSCWKKBTIRYSAQ-UHFFFAOYSA-N
MW385.26 g/mol
LogP1.95
Rot. Bonds5

About 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate

2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate (PubChem CID 75400870) has the molecular formula C16H21BrN2O4 and a molecular weight of 385.26 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate
PubChem CID75400870
Molecular FormulaC16H21BrN2O4
Molecular Weight385.26 g/mol
Exact Mass384.07
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate
SMILESO=C(CN1CCCCCCC1=O)OCCn1cc(Br)ccc1=O
InChIInChI=1S/C16H21BrN2O4/c17-13-6-7-15(21)19(11-13)9-10-23-16(22)12-18-8-4-2-1-3-5-14(18)20/h6-7,11H,1-5,8-10,12H2
InChIKeyQSCWKKBTIRYSAQ-UHFFFAOYSA-N
XLogP1.95
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]azocan-2-one
CID 43259775
[(E)-3-chloroprop-2-enyl] 2-(2-oxoazepan-1-yl)acetate
CID 75412929
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
1-[(4-bromophenyl)methyl]azepan-2-one
CID 55137398
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404
[2-(4-ethylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727959
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727873
5-bromo-1-(2-cyclopentyl-2-oxoethyl)pyridin-2-one
CID 104751175
2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58135973
1-[2-(2-bromophenyl)-2-oxoethyl]azepan-2-one
CID 62023147
2-[2-(5-bromo-2-oxo-1-pyridinyl)ethoxy]benzoic acid
CID 43532494

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate (CID 75400870) is 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate is O=C(CN1CCCCCCC1=O)OCCn1cc(Br)ccc1=O.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate?
The InChIKey is QSCWKKBTIRYSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O4/c17-13-6-7-15(21)19(11-13)9-10-23-16(22)12-18-8-4-2-1-3-5-14(18)20/h6-7,11H,1-5,8-10,12H2.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate?
2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate has a molecular weight of 385.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)ethyl 2-(2-oxoazocan-1-yl)acetate is sourced from PubChem (CID 75400870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).