ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate

C22H22N2O3 — CID 13157266

IUPACethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c(N)c(Cc2ccccc2)c1=O
InChIInChI=1S/C22H22N2O3/c1-3-27-22(26)19-15(2)24(17-12-8-5-9-13-17)21(23)18(20(19)25)14-16-10-6-4-7-11-16/h4-13H,3,14,23H2,1-2H3
InChIKeyLJGCSJSZZMVYND-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.50
Rot. Bonds5

About ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate

ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate (PubChem CID 13157266) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
PubChem CID13157266
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Nameethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c(N)c(Cc2ccccc2)c1=O
InChIInChI=1S/C22H22N2O3/c1-3-27-22(26)19-15(2)24(17-12-8-5-9-13-17)21(23)18(20(19)25)14-16-10-6-4-7-11-16/h4-13H,3,14,23H2,1-2H3
InChIKeyLJGCSJSZZMVYND-UHFFFAOYSA-N
XLogP3.50
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59846219
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CID 90451326
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 4-methyl-2-methylsulfanyl-6-oxo-1-phenylpyrimidine-5-carboxylate
CID 11483531
ethyl 3-amino-2-phenyl-1-sulfanylidene-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxylate
CID 658834
ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
CID 15420181
ethyl 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carboxylate
CID 2174465
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
ethyl 4-benzyl-5-oxo-2H-1,2-oxazole-3-carboxylate
CID 134908802
2-O-benzyl 1-O-ethyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 142686765
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
ethyl 5-formyl-1,2,4-triphenylpyrrole-3-carboxylate
CID 102185335

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate (CID 13157266) is ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c(N)c(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
The InChIKey is LJGCSJSZZMVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-3-27-22(26)19-15(2)24(17-12-8-5-9-13-17)21(23)18(20(19)25)14-16-10-6-4-7-11-16/h4-13H,3,14,23H2,1-2H3.
What are the key properties of ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate?
ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-benzyl-2-methyl-4-oxo-1-phenylpyridine-3-carboxylate is sourced from PubChem (CID 13157266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).