bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate

C17H19N3O6 — CID 5145674

IUPACbis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESO=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CC2)n1)NC1CC1
InChIInChI=1S/C17H19N3O6/c21-14(18-10-4-5-10)8-25-16(23)12-2-1-3-13(20-12)17(24)26-9-15(22)19-11-6-7-11/h1-3,10-11H,4-9H2,(H,18,21)(H,19,22)
InChIKeyJQSWFBXEZMEKJA-UHFFFAOYSA-N
MW361.35 g/mol
LogP-0.05
Rot. Bonds8

About bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate

bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate (PubChem CID 5145674) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
PubChem CID5145674
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Namebis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESO=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CC2)n1)NC1CC1
InChIInChI=1S/C17H19N3O6/c21-14(18-10-4-5-10)8-25-16(23)12-2-1-3-13(20-12)17(24)26-9-15(22)19-11-6-7-11/h1-3,10-11H,4-9H2,(H,18,21)(H,19,22)
InChIKeyJQSWFBXEZMEKJA-UHFFFAOYSA-N
XLogP-0.05
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate (CID 5145674) is bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate is O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CC2)n1)NC1CC1.
What is the InChIKey of bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The InChIKey is JQSWFBXEZMEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c21-14(18-10-4-5-10)8-25-16(23)12-2-1-3-13(20-12)17(24)26-9-15(22)19-11-6-7-11/h1-3,10-11H,4-9H2,(H,18,21)(H,19,22).
What are the key properties of bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate has a molecular weight of 361.35 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(cyclopropylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 5145674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).