[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate

C15H19BrN2O3 — CID 2386742

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCN(C(=O)COC(=O)c1cncc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2O3/c1-18(13-5-3-2-4-6-13)14(19)10-21-15(20)11-7-12(16)9-17-8-11/h7-9,13H,2-6,10H2,1H3
InChIKeyJOEKIJKNMQSLDL-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.79
Rot. Bonds4

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate (PubChem CID 2386742) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
PubChem CID2386742
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
SMILESCN(C(=O)COC(=O)c1cncc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2O3/c1-18(13-5-3-2-4-6-13)14(19)10-21-15(20)11-7-12(16)9-17-8-11/h7-9,13H,2-6,10H2,1H3
InChIKeyJOEKIJKNMQSLDL-UHFFFAOYSA-N
XLogP2.79
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nicametate
CID 71650
Methyl 5-bromopyridine-3-carboxylate
CID 699336
Ethyl 5-bromopyridine-3-carboxylate
CID 140785
2-(4-Methylpiperidin-1-yl)-2-oxoethyl 5-bromopyridine-3-carboxylate
CID 2097394
[2-(Cyclohexylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2351060
[Phenyl(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2371306
2-(Cyclohexyl(ethyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
CID 2384821
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2436130
[Cyclohexyl(methyl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 3693761
[2-(Tert-butylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2411979
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-bromopyridine-3-carboxylate
CID 2416732
2-((2-Chlorobenzyl)amino)-2-oxoethyl 5-bromonicotinate
CID 2433735

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate (CID 2386742) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate is CN(C(=O)COC(=O)c1cncc(Br)c1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate?
The InChIKey is JOEKIJKNMQSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-18(13-5-3-2-4-6-13)14(19)10-21-15(20)11-7-12(16)9-17-8-11/h7-9,13H,2-6,10H2,1H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate has a molecular weight of 355.23 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate is sourced from PubChem (CID 2386742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).