ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate

C24H23NO5 — CID 132563836

IUPACethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate
SMILESC/C=C1\C(C(=O)OCC)=CC(C(=O)c2ccccc2O)=CN1c1ccc(OC)cc1
InChIInChI=1S/C24H23NO5/c1-4-21-20(24(28)30-5-2)14-16(23(27)19-8-6-7-9-22(19)26)15-25(21)17-10-12-18(29-3)13-11-17/h4,6-15,26H,5H2,1-3H3/b21-4+
InChIKeyFSUXUSWGEIIFEU-IPBDZQFASA-N
MW405.45 g/mol
LogP4.38
Rot. Bonds6

About ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate

ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate (PubChem CID 132563836) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate
PubChem CID132563836
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Nameethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate
SMILESC/C=C1\C(C(=O)OCC)=CC(C(=O)c2ccccc2O)=CN1c1ccc(OC)cc1
InChIInChI=1S/C24H23NO5/c1-4-21-20(24(28)30-5-2)14-16(23(27)19-8-6-7-9-22(19)26)15-25(21)17-10-12-18(29-3)13-11-17/h4,6-15,26H,5H2,1-3H3/b21-4+
InChIKeyFSUXUSWGEIIFEU-IPBDZQFASA-N
XLogP4.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
CID 142416598
ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
CID 56648068
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-benzoyl-1-(4-methoxyphenyl)-5-phenylpyrrole-3-carboxylate
CID 139181936
ethyl 2-[3-(4-methoxyphenyl)-5-methyl-2-oxoimidazol-1-yl]benzoate
CID 15466903
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-(2,2-difluoroethenyl)benzoate
CID 121364500
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate?
The IUPAC name of ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate (CID 132563836) is ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate is C/C=C1\C(C(=O)OCC)=CC(C(=O)c2ccccc2O)=CN1c1ccc(OC)cc1.
What is the InChIKey of ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate?
The InChIKey is FSUXUSWGEIIFEU-IPBDZQFASA-N. The full InChI is InChI=1S/C24H23NO5/c1-4-21-20(24(28)30-5-2)14-16(23(27)19-8-6-7-9-22(19)26)15-25(21)17-10-12-18(29-3)13-11-17/h4,6-15,26H,5H2,1-3H3/b21-4+.
What are the key properties of ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate?
ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-ethylidene-5-(2-hydroxybenzoyl)-1-(4-methoxyphenyl)pyridine-3-carboxylate is sourced from PubChem (CID 132563836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).