ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate

C21H20N2O3 — CID 14003686

IUPACethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C21H20N2O3/c1-3-26-21(24)19-14-13-18(15-7-5-4-6-8-15)20(23-19)22-16-9-11-17(25-2)12-10-16/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyMBJBWSITFKFPCC-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.68
Rot. Bonds6

About ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate

ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate (PubChem CID 14003686) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate
PubChem CID14003686
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C21H20N2O3/c1-3-26-21(24)19-14-13-18(15-7-5-4-6-8-15)20(23-19)22-16-9-11-17(25-2)12-10-16/h4-14H,3H2,1-2H3,(H,22,23)
InChIKeyMBJBWSITFKFPCC-UHFFFAOYSA-N
XLogP4.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{4-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-phenyl}-3-phenyl-butyric acid
CID 44283544
(2S)-2-benzamido-3-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]propanoic acid
CID 59665495
6-(2-Phenylmethoxyanilino)pyridine-2-carboxylic acid
CID 25008273
Sodium 6-(2-phenylmethoxyanilino)pyridine-2-carboxylate
CID 44448985
4-tert-butyl-N-(3-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)benzamide
CID 164614380
4-Methoxy-N-(6-phenyl-pyridin-2-yl)-benzamide
CID 10566417
Ethyl 4-[2-(4-aminophenyl)ethynyl]-6-methoxyquinoline-2-carboxylate
CID 156011178
4-[4-[2-(N-(6-methyl-2-pyridinyl)anilino)ethoxy]phenyl]butanoic acid
CID 25109509
ethyl 7-methoxy-4-oxo-3H-pyrimido[4,5-b]quinoline-2-carboxylate
CID 135705322
ethyl 4-oxo-7-phenylmethoxy-3H-pyrimido[4,5-b]quinoline-2-carboxylate
CID 136209358
4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxylic acid
CID 66799523
6-[N-(carboxymethyl)anilino]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
CID 66799762

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate (CID 14003686) is ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate is CCOC(=O)c1ccc(-c2ccccc2)c(Nc2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate?
The InChIKey is MBJBWSITFKFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-26-21(24)19-14-13-18(15-7-5-4-6-8-15)20(23-19)22-16-9-11-17(25-2)12-10-16/h4-14H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate?
ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxyanilino)-5-phenylpyridine-2-carboxylate is sourced from PubChem (CID 14003686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).