[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

C17H18N2O4 — CID 71823503

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H18N2O4/c1-3-22-15-8-6-14(7-9-15)19-16(20)11-23-17(21)13-5-4-12(2)18-10-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyKDZNURHAWHTIJL-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.58
Rot. Bonds6

About [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 71823503) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID71823503
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H18N2O4/c1-3-22-15-8-6-14(7-9-15)19-16(20)11-23-17(21)13-5-4-12(2)18-10-13/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyKDZNURHAWHTIJL-UHFFFAOYSA-N
XLogP2.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46519873
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7950221
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
3-O-[2-(4-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860632
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-methylpyridine-3-carboxylate
CID 71823490

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 71823503) is [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is CCOc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is KDZNURHAWHTIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-22-15-8-6-14(7-9-15)19-16(20)11-23-17(21)13-5-4-12(2)18-10-13/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 71823503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).