ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate

C10H14N2O4 — CID 13086384

IUPACethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)cc(=O)[nH]c1OCC
InChIInChI=1S/C10H14N2O4/c1-3-15-9-8(10(14)16-4-2)6(11)5-7(13)12-9/h5H,3-4H2,1-2H3,(H3,11,12,13)
InChIKeyCHOIEVNNFAZJRE-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.53
Rot. Bonds4

About ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate

ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 13086384) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
PubChem CID13086384
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)cc(=O)[nH]c1OCC
InChIInChI=1S/C10H14N2O4/c1-3-15-9-8(10(14)16-4-2)6(11)5-7(13)12-9/h5H,3-4H2,1-2H3,(H3,11,12,13)
InChIKeyCHOIEVNNFAZJRE-UHFFFAOYSA-N
XLogP0.53
TPSA94.41 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133093404
ethyl 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carboxylate
CID 2385893
ethyl 2-cyano-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 134673857
ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 54731423
ethyl 2-butoxy-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 118582299
ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 71434385
4-amino-2-(diethylamino)-6-oxo-1H-pyridine-3-carboxylic acid
CID 165457696
ethyl 2-(1-cyano-2-ethoxy-2-hydroxyethenyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 148546107
ethyl 2-butan-2-yl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 123616005
ethyl 4-cyano-6-oxo-1H-pyridine-2-carboxylate
CID 131028797
ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
CID 117272940
ethyl 6-amino-3-bromo-2,4-dimethylbenzoate
CID 107575684

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate (CID 13086384) is ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1c(N)cc(=O)[nH]c1OCC.
What is the InChIKey of ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is CHOIEVNNFAZJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-15-9-8(10(14)16-4-2)6(11)5-7(13)12-9/h5H,3-4H2,1-2H3,(H3,11,12,13).
What are the key properties of ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate?
ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 13086384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).