[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate

C19H23N3O4 — CID 55308156

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C19H23N3O4/c1-4-25-15-9-7-14(8-10-15)22-18-16(6-5-11-20-18)19(24)26-12-17(23)21-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDWGFMOXUHRPJIQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.91
Rot. Bonds8

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (PubChem CID 55308156) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
PubChem CID55308156
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
SMILESCCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C19H23N3O4/c1-4-25-15-9-7-14(8-10-15)22-18-16(6-5-11-20-18)19(24)26-12-17(23)21-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDWGFMOXUHRPJIQ-UHFFFAOYSA-N
XLogP2.91
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967523
[2-(2-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 42967528
2-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 12812828
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 24567636
[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
CID 2428089
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate
CID 16506407
N-(3-aminopropyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide;dihydrochloride
CID 119405364
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylate
CID 110446568
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyphenyl)acetate
CID 71820840

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate (CID 55308156) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is CCOc1ccc(Nc2ncccc2C(=O)OCC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
The InChIKey is DWGFMOXUHRPJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-25-15-9-7-14(8-10-15)22-18-16(6-5-11-20-18)19(24)26-12-17(23)21-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate is sourced from PubChem (CID 55308156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).