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

C23H22N2O4 — CID 142747696

IUPACethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1NCCc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-2-29-23(28)19-14-17(21(27)18-10-6-7-11-20(18)26)15-25-22(19)24-13-12-16-8-4-3-5-9-16/h3-11,14-15,26H,2,12-13H2,1H3,(H,24,25)
InChIKeyRSGVQLMVCTVRBJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.85
Rot. Bonds8

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

ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate (PubChem CID 142747696) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate
PubChem CID142747696
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1NCCc1ccccc1
InChIInChI=1S/C23H22N2O4/c1-2-29-23(28)19-14-17(21(27)18-10-6-7-11-20(18)26)15-25-22(19)24-13-12-16-8-4-3-5-9-16/h3-11,14-15,26H,2,12-13H2,1H3,(H,24,25)
InChIKeyRSGVQLMVCTVRBJ-UHFFFAOYSA-N
XLogP3.85
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
CID 142747669
2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate
CID 142747686
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 5-acetyl-2-(methylamino)pyridine-3-carboxylate
CID 70396007
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
CID 56647866
ethyl 4-methyl-2-(2-phenylethylcarbamothioylamino)pyrimidine-5-carboxylate
CID 100564365
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-propylbenzoate
CID 56647864
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate (CID 142747696) is ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1NCCc1ccccc1.
What is the InChIKey of ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate?
The InChIKey is RSGVQLMVCTVRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-29-23(28)19-14-17(21(27)18-10-6-7-11-20(18)26)15-25-22(19)24-13-12-16-8-4-3-5-9-16/h3-11,14-15,26H,2,12-13H2,1H3,(H,24,25).
What are the key properties of ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate?
ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 142747696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).