[2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate

C15H14N2O4 — CID 1088747

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C15H14N2O4/c1-20-13-8-3-2-6-11(13)17-14(18)10-21-15(19)12-7-4-5-9-16-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyLBBHQFZBJOGQCZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.89
Rot. Bonds5

About [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate

[2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 1088747) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate
PubChem CID1088747
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1ccccn1
InChIInChI=1S/C15H14N2O4/c1-20-13-8-3-2-6-11(13)17-14(18)10-21-15(19)12-7-4-5-9-16-12/h2-9H,10H2,1H3,(H,17,18)
InChIKeyLBBHQFZBJOGQCZ-UHFFFAOYSA-N
XLogP1.89
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate (CID 1088747) is [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate is COc1ccccc1NC(=O)COC(=O)c1ccccn1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is LBBHQFZBJOGQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-20-13-8-3-2-6-11(13)17-14(18)10-21-15(19)12-7-4-5-9-16-12/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 286.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 1088747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).