N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide

C19H20FN3O4 — CID 27457218

IUPACN-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide
SMILESCCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1F)CC2
InChIInChI=1S/C19H20FN3O4/c1-2-27-17-12-23-10-9-22(19(26)15(23)11-16(17)24)8-7-21-18(25)13-5-3-4-6-14(13)20/h3-6,11-12H,2,7-10H2,1H3,(H,21,25)
InChIKeyOHPCFRHSYHJXSG-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.27
Rot. Bonds6

About N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide

N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide (PubChem CID 27457218) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide
PubChem CID27457218
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide
SMILESCCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1F)CC2
InChIInChI=1S/C19H20FN3O4/c1-2-27-17-12-23-10-9-22(19(26)15(23)11-16(17)24)8-7-21-18(25)13-5-3-4-6-14(13)20/h3-6,11-12H,2,7-10H2,1H3,(H,21,25)
InChIKeyOHPCFRHSYHJXSG-UHFFFAOYSA-N
XLogP1.27
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide (CID 27457218) is N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide is CCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1F)CC2.
What is the InChIKey of N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
The InChIKey is OHPCFRHSYHJXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-2-27-17-12-23-10-9-22(19(26)15(23)11-16(17)24)8-7-21-18(25)13-5-3-4-6-14(13)20/h3-6,11-12H,2,7-10H2,1H3,(H,21,25).
What are the key properties of N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide?
N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide has a molecular weight of 373.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 27457218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).