5-Amino-4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-methylpyridine-2-carboxylic acid

HCID 320334

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Basic information

CAS: 61948-42-3
Standard SMILES: COc1ccc(-c2c(N)cnc(C(=O)O)c2C)c(OCc2ccccc2)c1OC
InChIKey: FDBGSJZMSANAJD-UHFFFAOYSA-N
Molecular formula: C22H22N2O5
Average molar mass: 394.4 g/mol
Monoisotopic mass: 394.15287181

Names & identifiers

Preferred name: 5-Amino-4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-methylpyridine-2-carboxylic acid
IUPAC: 5-amino-4-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-methylpyridine-2-carboxylic acid

Names & synonyms

MLS003107276NSC26743361948-42-3CHEMBL2354502DTXSID20313205NSC-267433SMR001822149DS-0056582-Pyridinecarboxylic acid, 5-amino-4-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-3-methyl-5-amino-4-(2-benzyloxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid5-Amino-4-(3,4-dimethoxy-2-phenylmethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid5-Amino-4-[2-(benzyloxy)-3,4-dimethoxyphenyl]-3-methylpyridine-2-carboxylic acid

Database identifiers

CAS: 61948-42-3
PubChem CID: 320334
DTXSID: DTXSID20313205
ChEMBL: CHEMBL2354502

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 104 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 527

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