ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate

C11H14N2O4 — CID 2997731

IUPACethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)c(=O)n(C)c1N
InChIInChI=1S/C11H14N2O4/c1-4-17-11(16)8-5-7(6(2)14)10(15)13(3)9(8)12/h5H,4,12H2,1-3H3
InChIKeyZMINDHZDQBHQJT-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.35
Rot. Bonds3

About ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate

ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 2997731) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID2997731
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)c(=O)n(C)c1N
InChIInChI=1S/C11H14N2O4/c1-4-17-11(16)8-5-7(6(2)14)10(15)13(3)9(8)12/h5H,4,12H2,1-3H3
InChIKeyZMINDHZDQBHQJT-UHFFFAOYSA-N
XLogP0.35
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 2-acetyl-4-aminobenzoate
CID 70477143
diethyl 2-amino-1-(ethoxycarbonylamino)-6-oxopyridine-3,5-dicarboxylate
CID 10405031
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899
ethyl 1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 97036567
5-acetyl-3-ethoxycarbonyl-1-(4-methoxyphenyl)-6-oxopyridin-2-olate;triethylazanium
CID 137183787
ethyl 8-amino-4-oxoquinolizine-3-carboxylate
CID 20634156
ethyl 5-acetyl-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxylate
CID 14964584
ethyl 4-[5-(4-ethoxycarbonylphenyl)-1-methylpyrrol-2-yl]benzoate
CID 102204589
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 5-acetyl-2-methyl-1H-pyrrole-3-carboxylate
CID 25219910
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate (CID 2997731) is ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate is CCOC(=O)c1cc(C(C)=O)c(=O)n(C)c1N.
What is the InChIKey of ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is ZMINDHZDQBHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-4-17-11(16)8-5-7(6(2)14)10(15)13(3)9(8)12/h5H,4,12H2,1-3H3.
What are the key properties of ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate?
ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 238.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-amino-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 2997731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).