diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate

C14H19N3O7 — CID 10405031

IUPACdiethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate
SMILESCCOC(=O)Nn1c(N)c(C(=O)OCC)cc(C(=O)OCC)c1=O
InChIInChI=1S/C14H19N3O7/c1-4-22-12(19)8-7-9(13(20)23-5-2)11(18)17(10(8)15)16-14(21)24-6-3/h7H,4-6,15H2,1-3H3,(H,16,21)
InChIKeyHVJHYTNFXZFZTM-UHFFFAOYSA-N
MW341.32 g/mol
LogP0.48
Rot. Bonds6

About diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate

diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate (PubChem CID 10405031) has the molecular formula C14H19N3O7 and a molecular weight of 341.32 g/mol. Its IUPAC name is diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate
PubChem CID10405031
Molecular FormulaC14H19N3O7
Molecular Weight341.32 g/mol
Exact Mass341.12
IUPAC Namediethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate
SMILESCCOC(=O)Nn1c(N)c(C(=O)OCC)cc(C(=O)OCC)c1=O
InChIInChI=1S/C14H19N3O7/c1-4-22-12(19)8-7-9(13(20)23-5-2)11(18)17(10(8)15)16-14(21)24-6-3/h7H,4-6,15H2,1-3H3,(H,16,21)
InChIKeyHVJHYTNFXZFZTM-UHFFFAOYSA-N
XLogP0.48
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
CID 2997731
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
ethyl 8-amino-4-oxoquinolizine-3-carboxylate
CID 20634156
ethyl 2-bromo-5-sulfamoylbenzoate
CID 43828339
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
ethyl 5-amino-2-bromo-4-(methylamino)benzoate
CID 156537860
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
sodium;2-ethoxycarbonyl-5-sulfobenzoic acid;hydride
CID 175079130
ethyl 4,5-diamino-2-methylbenzoate
CID 171024820
ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 71434385
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate (CID 10405031) is diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate is CCOC(=O)Nn1c(N)c(C(=O)OCC)cc(C(=O)OCC)c1=O.
What is the InChIKey of diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate?
The InChIKey is HVJHYTNFXZFZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O7/c1-4-22-12(19)8-7-9(13(20)23-5-2)11(18)17(10(8)15)16-14(21)24-6-3/h7H,4-6,15H2,1-3H3,(H,16,21).
What are the key properties of diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate?
diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate has a molecular weight of 341.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate is sourced from PubChem (CID 10405031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).