diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate

C14H20N4O5 — CID 4563476

IUPACdiethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1NN=CN(C)C
InChIInChI=1S/C14H20N4O5/c1-5-22-13(20)9-7-10(14(21)23-6-2)12(19)16-11(9)17-15-8-18(3)4/h7-8H,5-6H2,1-4H3,(H2,16,17,19)
InChIKeyQNEAOHQFPQYOPX-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.65
Rot. Bonds7

About diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate

diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate (PubChem CID 4563476) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate
PubChem CID4563476
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Namediethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1NN=CN(C)C
InChIInChI=1S/C14H20N4O5/c1-5-22-13(20)9-7-10(14(21)23-6-2)12(19)16-11(9)17-15-8-18(3)4/h7-8H,5-6H2,1-4H3,(H2,16,17,19)
InChIKeyQNEAOHQFPQYOPX-UHFFFAOYSA-N
XLogP0.65
TPSA113.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate (CID 4563476) is diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1NN=CN(C)C.
What is the InChIKey of diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate?
The InChIKey is QNEAOHQFPQYOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5/c1-5-22-13(20)9-7-10(14(21)23-6-2)12(19)16-11(9)17-15-8-18(3)4/h7-8H,5-6H2,1-4H3,(H2,16,17,19).
What are the key properties of diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate?
diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate has a molecular weight of 324.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(dimethylaminomethylidene)hydrazinyl]-6-oxo-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 4563476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).