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

C19H21N3O4S — CID 27378078

IUPACN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1SC)CC2
InChIInChI=1S/C19H21N3O4S/c1-26-16-12-22-10-9-21(19(25)14(22)11-15(16)23)8-7-20-18(24)13-5-3-4-6-17(13)27-2/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyFOBZCFYAYXOVPS-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.46
Rot. Bonds6

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

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 27378078) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide
PubChem CID27378078
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1SC)CC2
InChIInChI=1S/C19H21N3O4S/c1-26-16-12-22-10-9-21(19(25)14(22)11-15(16)23)8-7-20-18(24)13-5-3-4-6-17(13)27-2/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)
InChIKeyFOBZCFYAYXOVPS-UHFFFAOYSA-N
XLogP1.46
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide (CID 27378078) is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide is COc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1SC)CC2.
What is the InChIKey of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is FOBZCFYAYXOVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-26-16-12-22-10-9-21(19(25)14(22)11-15(16)23)8-7-20-18(24)13-5-3-4-6-17(13)27-2/h3-6,11-12H,7-10H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide?
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 387.46 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 27378078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).