2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide

C19H20FN3O5 — CID 27378048

IUPAC2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)COc1ccc(F)cc1)CC2
InChIInChI=1S/C19H20FN3O5/c1-27-17-11-23-9-8-22(19(26)15(23)10-16(17)24)7-6-21-18(25)12-28-14-4-2-13(20)3-5-14/h2-5,10-11H,6-9,12H2,1H3,(H,21,25)
InChIKeyRNXUDSJCMLHCQG-UHFFFAOYSA-N
MW389.38 g/mol
LogP0.65
Rot. Bonds7

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

2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide (PubChem CID 27378048) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide
PubChem CID27378048
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)COc1ccc(F)cc1)CC2
InChIInChI=1S/C19H20FN3O5/c1-27-17-11-23-9-8-22(19(26)15(23)10-16(17)24)7-6-21-18(25)12-28-14-4-2-13(20)3-5-14/h2-5,10-11H,6-9,12H2,1H3,(H,21,25)
InChIKeyRNXUDSJCMLHCQG-UHFFFAOYSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 4779699
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
CID 7217024
2-(4-Fluorophenoxy)-1-(piperazin-1-yl)ethan-1-one
CID 22718324
2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 848711
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 24983151
2-(2-fluorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl]acetamide
CID 45498173
2-(4-fluorophenoxy)-N-[1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl]acetamide
CID 45498174
N-(1-methyl-5-(morpholine-4-carbonyl)-2-oxo-1,2-dihydropyridin-3-yl)-2-(o-tolyloxy)acetamide
CID 45498210
N,N-diethyl-1-methyl-6-oxo-5-(2-(o-tolyloxy)acetamido)-1,6-dihydropyridine-3-carboxamide
CID 45526440
N-(1-methyl-2-oxo-5-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-3-yl)-2-phenoxyacetamide
CID 45526812
N-(1-methyl-2-oxo-5-(piperidine-1-carbonyl)-1,2-dihydropyridin-3-yl)-2-(o-tolyloxy)acetamide
CID 45526936
N-(2-((2-(4-fluorophenoxy)ethyl)amino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 49677585

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide (CID 27378048) is 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide is COc1cn2c(cc1=O)C(=O)N(CCNC(=O)COc1ccc(F)cc1)CC2.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The InChIKey is RNXUDSJCMLHCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c1-27-17-11-23-9-8-22(19(26)15(23)10-16(17)24)7-6-21-18(25)12-28-14-4-2-13(20)3-5-14/h2-5,10-11H,6-9,12H2,1H3,(H,21,25).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide is sourced from PubChem (CID 27378048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).