butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate

C13H16N2O4 — CID 146441993

IUPACbutyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
SMILESCCCCOC(=O)c1ccc2n(c1=O)CCNC2=O
InChIInChI=1S/C13H16N2O4/c1-2-3-8-19-13(18)9-4-5-10-11(16)14-6-7-15(10)12(9)17/h4-5H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyHPMPTUNQKWNIPY-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.55
Rot. Bonds4

About butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate

butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate (PubChem CID 146441993) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Namebutyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
PubChem CID146441993
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namebutyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate
SMILESCCCCOC(=O)c1ccc2n(c1=O)CCNC2=O
InChIInChI=1S/C13H16N2O4/c1-2-3-8-19-13(18)9-4-5-10-11(16)14-6-7-15(10)12(9)17/h4-5H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyHPMPTUNQKWNIPY-UHFFFAOYSA-N
XLogP0.55
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate (CID 146441993) is butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate is CCCCOC(=O)c1ccc2n(c1=O)CCNC2=O.
What is the InChIKey of butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
The InChIKey is HPMPTUNQKWNIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-3-8-19-13(18)9-4-5-10-11(16)14-6-7-15(10)12(9)17/h4-5H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate?
butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1,6-dioxo-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 146441993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).