[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate

C17H18N2O3 — CID 9413506

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-3-13-7-4-6-12(2)16(13)19-15(20)11-22-17(21)14-8-5-9-18-10-14/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyGJEQITYZWNFTOC-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.75
Rot. Bonds5

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9413506) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9413506
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-3-13-7-4-6-12(2)16(13)19-15(20)11-22-17(21)14-8-5-9-18-10-14/h4-10H,3,11H2,1-2H3,(H,19,20)
InChIKeyGJEQITYZWNFTOC-UHFFFAOYSA-N
XLogP2.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(diethylamino)benzoate
CID 7665500
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2636706
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2700968
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8803868
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 8021597
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2606025
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
3-(2-ethyl-6-methylanilino)-1-pyridin-3-ylbut-2-en-1-one
CID 23852380
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520885
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2700958
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602638

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate (CID 9413506) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate is CCc1cccc(C)c1NC(=O)COC(=O)c1cccnc1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is GJEQITYZWNFTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-13-7-4-6-12(2)16(13)19-15(20)11-22-17(21)14-8-5-9-18-10-14/h4-10H,3,11H2,1-2H3,(H,19,20).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9413506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).