ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate

C10H14N2O4 — CID 177137135

IUPACethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c(=O)c1NOC
InChIInChI=1S/C10H14N2O4/c1-4-16-10(14)7-5-6(2)11-9(13)8(7)12-15-3/h5,12H,4H2,1-3H3,(H,11,13)
InChIKeyBTBZMMRWXMIZIV-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.83
Rot. Bonds4

About ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate

ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 177137135) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
PubChem CID177137135
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c(=O)c1NOC
InChIInChI=1S/C10H14N2O4/c1-4-16-10(14)7-5-6(2)11-9(13)8(7)12-15-3/h5,12H,4H2,1-3H3,(H,11,13)
InChIKeyBTBZMMRWXMIZIV-UHFFFAOYSA-N
XLogP0.83
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carboxylate
CID 133103413
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135
ethyl 6-tert-butyl-3-cyano-2-oxo-1H-pyridine-4-carboxylate
CID 2781757
ethyl 6-methoxy-2-methyl-4-oxo-1H-quinoline-8-carboxylate
CID 156738465
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 5-acetyl-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 14964584
ethyl 6-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 133093299
ethyl 5-fluoro-2-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 135741598
ethyl 2-[(Z)-(2-chloro-6-oxo-5H-pyrrolo[3,2-d]pyrimidin-7-ylidene)methyl]-5-methyl-1H-pyrrole-3-carboxylate
CID 162438392
ethyl 3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 134674785

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate (CID 177137135) is ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate is CCOC(=O)c1cc(C)[nH]c(=O)c1NOC.
What is the InChIKey of ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is BTBZMMRWXMIZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-16-10(14)7-5-6(2)11-9(13)8(7)12-15-3/h5,12H,4H2,1-3H3,(H,11,13).
What are the key properties of ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate?
ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methoxyamino)-6-methyl-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 177137135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).