ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate

C13H16N4O3 — CID 134914387

IUPACethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(C)c(N(C)C)nc2c1=O
InChIInChI=1S/C13H16N4O3/c1-5-20-13(19)8-6-14-11-9(10(8)18)16-12(17(3)4)7(2)15-11/h6H,5H2,1-4H3,(H,14,15,18)
InChIKeyQIGVLKUMUHFTOO-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.87
Rot. Bonds3

About ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate

ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate (PubChem CID 134914387) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
PubChem CID134914387
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Nameethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(C)c(N(C)C)nc2c1=O
InChIInChI=1S/C13H16N4O3/c1-5-20-13(19)8-6-14-11-9(10(8)18)16-12(17(3)4)7(2)15-11/h6H,5H2,1-4H3,(H,14,15,18)
InChIKeyQIGVLKUMUHFTOO-UHFFFAOYSA-N
XLogP0.87
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate (CID 134914387) is ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate is CCOC(=O)c1c[nH]c2nc(C)c(N(C)C)nc2c1=O.
What is the InChIKey of ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
The InChIKey is QIGVLKUMUHFTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-5-20-13(19)8-6-14-11-9(10(8)18)16-12(17(3)4)7(2)15-11/h6H,5H2,1-4H3,(H,14,15,18).
What are the key properties of ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate?
ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-3-methyl-8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 134914387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).