[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate

C17H18N2O4 — CID 2363580

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-14-7-5-13(6-8-14)9-11-19-16(20)12-23-17(21)15-4-2-3-10-18-15/h2-8,10H,9,11-12H2,1H3,(H,19,20)
InChIKeyMYPOJDSKQRAJIK-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.61
Rot. Bonds7

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2363580) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2363580
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccc(CCNC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N2O4/c1-22-14-7-5-13(6-8-14)9-11-19-16(20)12-23-17(21)15-4-2-3-10-18-15/h2-8,10H,9,11-12H2,1H3,(H,19,20)
InChIKeyMYPOJDSKQRAJIK-UHFFFAOYSA-N
XLogP1.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate (CID 2363580) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate is COc1ccc(CCNC(=O)COC(=O)c2ccccn2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is MYPOJDSKQRAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-14-7-5-13(6-8-14)9-11-19-16(20)12-23-17(21)15-4-2-3-10-18-15/h2-8,10H,9,11-12H2,1H3,(H,19,20).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2363580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).