4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide - CAS 284462-37-9
Catalog: |
BB019848 |
Product Name: |
4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide |
CAS: |
284462-37-9 |
Synonyms: |
4-(4-Aminophenoxy)-N-methylpicolinamide; 4-[[2-(N-Methylcarbamoyl)-4-pyridyl]oxy]aniline; 4-[(4-aminomethyl)phenoxy]-2-pyridine carbonic acid methylamide; Sorafenib Imp -1; Sorafenib Related Compound 23 |
IUPAC Name: | 4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide |
Description: | [4-(4-Aminophenoxy)(2-pyridyl)]-N-methylcarboxamide is an intermediate of Sorafenib, which is a kinase inhibitor drug used for the treatment of primary kidney cancer (advanced renal cell carcinoma), advanced primary liver cancer (hepatocellular carcinoma), FLT3-ITD positive AML and radioactive iodine resistant advanced thyroid carcinoma. |
Molecular Weight: | 243.26 |
Molecular Formula: | C13H13N3O2 |
Canonical SMILES: | CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N |
InChI: | InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17) |
InChI Key: | RXZZBPYPZLAEFC-UHFFFAOYSA-N |
Boiling Point: | 476.8±40.0°C (Predicted) |
Melting Point: | 110-112°C |
Purity: | ≥95% |
Density: | 1.241±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | Light brown to brown solid |
Storage: | Store at 2-8°C |
LogP: | 2.78780 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112028814-A | Method for preparing amine compound based on novel catalytic Curtius rearrangement reaction | 20200930 |
CN-111303121-A | 4-phenoxypyridine compound containing quinoxalinone and application thereof | 20200420 |
RU-2020112728-A | AMORPHOUS FORM 4- {4 - [({[4-CHLORO-3- (TRIFLUOROMETHYL) PHENYL] AMINO} CARBONYL) -AMINO] PHENOXY} -N-METHYLPYRIDINE-2-CARBOXAMIDE TOSILATE (VERSIONS), METHOD FOR APPLICATION TREATMENT OF ONCOLOGICAL DISEASES | 20200330 |
CN-111298127-A | Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same | 20190619 |
CN-111362871-A | Substituted pyridine-2-carboxamides and their use | 20181225 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.100776666 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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