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3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid , CAS No.1087659-19-5
Discover 3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid by Aladdin Scientific in for only $605.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid | 3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid, AldrichCPR | FT-0729187 | 3-methoxy-5-(phenylcarbamoyl)pyridine-4-carboxylic acid | AKOS015851749 | DTXSID90670135 | 1087659-19-5 | MFCD11857626
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Aromatic anilides
Alternative Parents
Pyridinecarboxylic acids Nicotinamides Alkyl aryl ethers Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aromatic anilide - Nicotinamide - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
3-methoxy-5-(phenylcarbamoyl)pyridine-4-carboxylic acid
INCHI
InChI=1S/C14H12N2O4/c1-20-11-8-15-7-10(12(11)14(18)19)13(17)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey
SIYISUPHWCIBIW-UHFFFAOYSA-N
Smiles
COC1=C(C(=CN=C1)C(=O)NC2=CC=CC=C2)C(=O)O
Isomeric SMILES
COC1=C(C(=CN=C1)C(=O)NC2=CC=CC=C2)C(=O)O
WGK Germany
3
PubChem CID
45361754
Molecular Weight
272.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
272.260 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
272.08 Da
Monoisotopic Mass
272.08 Da
Topological Polar Surface Area
88.500 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
355.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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