ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate

C22H20N2O5 — CID 142747669

IUPACethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1Nc1cccc(OC)c1
InChIInChI=1S/C22H20N2O5/c1-3-29-22(27)18-11-14(20(26)17-9-4-5-10-19(17)25)13-23-21(18)24-15-7-6-8-16(12-15)28-2/h4-13,25H,3H2,1-2H3,(H,23,24)
InChIKeyJKSCRZOIZBEUHU-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.95
Rot. Bonds7

About ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate

ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate (PubChem CID 142747669) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
PubChem CID142747669
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Nameethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1Nc1cccc(OC)c1
InChIInChI=1S/C22H20N2O5/c1-3-29-22(27)18-11-14(20(26)17-9-4-5-10-19(17)25)13-23-21(18)24-15-7-6-8-16(12-15)28-2/h4-13,25H,3H2,1-2H3,(H,23,24)
InChIKeyJKSCRZOIZBEUHU-UHFFFAOYSA-N
XLogP3.95
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)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

2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate
CID 142747686
ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate
CID 142747696
ethyl 5-amino-2-(3-methoxyanilino)benzoate
CID 61306565
ethyl 2-(2-methoxyanilino)-4-(3-methoxyanilino)pyrimidine-5-carboxylate
CID 171546729
ethyl 4-(3-methoxyanilino)quinoline-3-carboxylate
CID 709089
ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
CID 56648068
ethyl 2-[[4-(3-methoxyanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112930597
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
ethyl 4-(3-ethoxycarbonylanilino)-6-methoxyquinoline-3-carboxylate
CID 23885216
ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
CID 70396007
ethyl 4-(3-methoxyanilino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2-carboxylate
CID 3630133

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate (CID 142747669) is ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1Nc1cccc(OC)c1.
What is the InChIKey of ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate?
The InChIKey is JKSCRZOIZBEUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-3-29-22(27)18-11-14(20(26)17-9-4-5-10-19(17)25)13-23-21(18)24-15-7-6-8-16(12-15)28-2/h4-13,25H,3H2,1-2H3,(H,23,24).
What are the key properties of ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate?
ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 142747669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).