[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate

C20H17BrN2O3 — CID 16522916

IUPAC[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCC(NC(=O)COC(=O)c1cncc(Br)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17BrN2O3/c1-13(15-7-6-14-4-2-3-5-16(14)8-15)23-19(24)12-26-20(25)17-9-18(21)11-22-10-17/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyZFZXQLFLROSORJ-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.03
Rot. Bonds5

About [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate

[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate (PubChem CID 16522916) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
PubChem CID16522916
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCC(NC(=O)COC(=O)c1cncc(Br)c1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17BrN2O3/c1-13(15-7-6-14-4-2-3-5-16(14)8-15)23-19(24)12-26-20(25)17-9-18(21)11-22-10-17/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyZFZXQLFLROSORJ-UHFFFAOYSA-N
XLogP4.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 7993163
N-[(1S)-1-naphthalen-2-ylethyl]-2-phenoxyacetamide
CID 7899710
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2616356
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-bromopyridine-3-carboxylate
CID 8871549
4-O-ethyl 2-O-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16508479
N-[(1R)-1-naphthalen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 7733632
2-(2-methoxyethoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 43022550
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2606025
[2-(ethoxycarbonylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2629648
phenacyl 5-bromopyridine-3-carboxylate
CID 2586792

Frequently Asked Questions

What is the IUPAC name of [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The IUPAC name of [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate (CID 16522916) is [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate.
What is the SMILES notation for [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The canonical SMILES for [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate is CC(NC(=O)COC(=O)c1cncc(Br)c1)c1ccc2ccccc2c1.
What is the InChIKey of [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The InChIKey is ZFZXQLFLROSORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-13(15-7-6-14-4-2-3-5-16(14)8-15)23-19(24)12-26-20(25)17-9-18(21)11-22-10-17/h2-11,13H,12H2,1H3,(H,23,24).
What are the key properties of [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate?
[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate has a molecular weight of 413.27 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-naphthalen-2-ylethylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 16522916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).