2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate

C22H20N2O5 — CID 142747686

IUPAC2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate
SMILESCOCCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1Nc1ccccc1
InChIInChI=1S/C22H20N2O5/c1-28-11-12-29-22(27)18-13-15(20(26)17-9-5-6-10-19(17)25)14-23-21(18)24-16-7-3-2-4-8-16/h2-10,13-14,25H,11-12H2,1H3,(H,23,24)
InChIKeyOSOORMXXZCAPJX-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.57
Rot. Bonds8

About 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate

2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate (PubChem CID 142747686) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate
PubChem CID142747686
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate
SMILESCOCCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1Nc1ccccc1
InChIInChI=1S/C22H20N2O5/c1-28-11-12-29-22(27)18-13-15(20(26)17-9-5-6-10-19(17)25)14-23-21(18)24-16-7-3-2-4-8-16/h2-10,13-14,25H,11-12H2,1H3,(H,23,24)
InChIKeyOSOORMXXZCAPJX-UHFFFAOYSA-N
XLogP3.57
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
CID 142747669
ethyl 5-(2-hydroxybenzoyl)-2-(2-phenylethylamino)pyridine-3-carboxylate
CID 142747696
methyl 2-anilino-5-bromopyridine-3-carboxylate
CID 14222077
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
2-methoxyethyl 4-anilino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 21012399
[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
CID 175588914
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
azane;2-methoxyethyl benzoate
CID 174560204
(7-ethylquinolin-3-yl)-(2-hydroxyphenyl)methanone
CID 139223032
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate (CID 142747686) is 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate is COCCOC(=O)c1cc(C(=O)c2ccccc2O)cnc1Nc1ccccc1.
What is the InChIKey of 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate?
The InChIKey is OSOORMXXZCAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-28-11-12-29-22(27)18-13-15(20(26)17-9-5-6-10-19(17)25)14-23-21(18)24-16-7-3-2-4-8-16/h2-10,13-14,25H,11-12H2,1H3,(H,23,24).
What are the key properties of 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate?
2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate has a molecular weight of 392.41 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-anilino-5-(2-hydroxybenzoyl)pyridine-3-carboxylate is sourced from PubChem (CID 142747686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).