Methyl 2-(Boc-amino)isonicotinate - CAS 639091-75-1
Catalog: |
BB032316 |
Product Name: |
Methyl 2-(Boc-amino)isonicotinate |
CAS: |
639091-75-1 |
Synonyms: |
2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinecarboxylic acid methyl ester; methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate |
IUPAC Name: | methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate |
Description: | Methyl 2-(Boc-amino)isonicotinate (CAS# 639091-75-1) is a useful research chemical. |
Molecular Weight: | 252.27 |
Molecular Formula: | C12H16N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=NC=CC(=C1)C(=O)OC |
InChI: | InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-7-8(5-6-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16) |
InChI Key: | TZCLGBJFBGZAQO-UHFFFAOYSA-N |
Boiling Point: | 325.534 °C at 760 mmHg |
Density: | 1.204 g/cm3 |
MDL: | MFCD11504796 |
LogP: | 2.22880 |
Publication Number | Title | Priority Date |
KR-20210108274-A | 1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 20200225 |
KR-20210108555-A | 1,3,4-Oxadiazol Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same | 20200225 |
WO-2021172886-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20200225 |
WO-2021172887-A1 | 1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same | 20200225 |
US-2021032219-A1 | Quaternary lactam compound and pharmaceutical use thereof | 20180330 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.111007 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.111007 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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