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

C13H15N3O6 — CID 3899797

IUPACbis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESCNC(=O)COC(=O)c1cccc(C(=O)OCC(=O)NC)n1
InChIInChI=1S/C13H15N3O6/c1-14-10(17)6-21-12(19)8-4-3-5-9(16-8)13(20)22-7-11(18)15-2/h3-5H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKRBRZJWPFLWKSE-UHFFFAOYSA-N
MW309.28 g/mol
LogP-1.11
Rot. Bonds6

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

bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate (PubChem CID 3899797) has the molecular formula C13H15N3O6 and a molecular weight of 309.28 g/mol. Its IUPAC name is bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
PubChem CID3899797
Molecular FormulaC13H15N3O6
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Namebis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
SMILESCNC(=O)COC(=O)c1cccc(C(=O)OCC(=O)NC)n1
InChIInChI=1S/C13H15N3O6/c1-14-10(17)6-21-12(19)8-4-3-5-9(16-8)13(20)22-7-11(18)15-2/h3-5H,6-7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyKRBRZJWPFLWKSE-UHFFFAOYSA-N
XLogP-1.11
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-O-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 6-O-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 7473115
bis[2-oxo-2-(prop-2-ynylamino)ethyl] pyridine-2,6-dicarboxylate
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bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
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CID 42988833
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
[2-(methylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969695
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
2-O-butyl 6-O-dodecyl pyridine-2,6-dicarboxylate
CID 91735947
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CID 18074812

Frequently Asked Questions

What is the IUPAC name of bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate (CID 3899797) is bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate is CNC(=O)COC(=O)c1cccc(C(=O)OCC(=O)NC)n1.
What is the InChIKey of bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
The InChIKey is KRBRZJWPFLWKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O6/c1-14-10(17)6-21-12(19)8-4-3-5-9(16-8)13(20)22-7-11(18)15-2/h3-5H,6-7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate?
bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate has a molecular weight of 309.28 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(methylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 3899797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).