[2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C18H20N2O4 — CID 2433099

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20N2O4/c1-4-23-17-14(6-5-9-19-17)18(22)24-11-16(21)20-15-10-12(2)7-8-13(15)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyVYIDVPHOMWRATL-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.89
Rot. Bonds6

About [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2433099) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2433099
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20N2O4/c1-4-23-17-14(6-5-9-19-17)18(22)24-11-16(21)20-15-10-12(2)7-8-13(15)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyVYIDVPHOMWRATL-UHFFFAOYSA-N
XLogP2.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-Fluorophenylcarbamoyl)Pyridin-2-Yloxy]Acetic Acid Methyl Ester
CID 10402760
[2-(4-Methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 847689
2-ethoxy-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 1478065
2-ethoxy-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 2096181
[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[2-[(4-Methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2359496
[2-(2,5-Dimethylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2429249
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2467378
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2645846
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 4215262
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
[1-(4-Morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 5035879

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2433099) is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is VYIDVPHOMWRATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-23-17-14(6-5-9-19-17)18(22)24-11-16(21)20-15-10-12(2)7-8-13(15)3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2433099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).