Methyl 1-Benzyl-2-oxo-1,2,3,4-tetrahydropyridine-5-carboxylate - CAS 156779-10-1
Catalog: |
BB011258 |
Product Name: |
Methyl 1-Benzyl-2-oxo-1,2,3,4-tetrahydropyridine-5-carboxylate |
CAS: |
156779-10-1 |
Synonyms: |
2-oxo-1-(phenylmethyl)-3,4-dihydropyridine-5-carboxylic acid methyl ester; methyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate |
IUPAC Name: | methyl 1-benzyl-2-oxo-3,4-dihydropyridine-5-carboxylate |
Description: | Methyl 1-Benzyl-2-oxo-1,2,3,4-tetrahydropyridine-5-carboxylate (CAS# 156779-10-1) is a useful research chemical. |
Molecular Weight: | 245.27 |
Molecular Formula: | C14H15NO3 |
Canonical SMILES: | COC(=O)C1=CN(C(=O)CC1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C14H15NO3/c1-18-14(17)12-7-8-13(16)15(10-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3 |
InChI Key: | MDGYQYIBDUHPHC-UHFFFAOYSA-N |
LogP: | 2.94740 |
Publication Number | Title | Priority Date |
CN-110603252-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
EP-3589628-A1 | Aryl, heteroary, and heterocyclic pharmaceutical compounds for treatment of medical disorders | 20170301 |
JP-2020514331-A | Aryl, heteroaryl and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
KR-20190126831-A | Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for the treatment of medical disorders | 20170301 |
US-2020071301-A1 | Aryi, Heteroaryl, and Heterocyclic Pharmaceutical Compounds for Treatment of Medical Disorders | 20170301 |
Complexity: | 356 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.10519334 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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