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

C18H19N3O4 — CID 27378061

IUPACN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1)CC2
InChIInChI=1S/C18H19N3O4/c1-25-16-12-21-10-9-20(18(24)14(21)11-15(16)22)8-7-19-17(23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,19,23)
InChIKeyQEQXZWRGKUGMJG-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.74
Rot. Bonds5

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

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide (PubChem CID 27378061) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide
PubChem CID27378061
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1)CC2
InChIInChI=1S/C18H19N3O4/c1-25-16-12-21-10-9-20(18(24)14(21)11-15(16)22)8-7-19-17(23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,19,23)
InChIKeyQEQXZWRGKUGMJG-UHFFFAOYSA-N
XLogP0.74
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]benzamide?
The IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide (CID 27378061) is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide is COc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccccc1)CC2.
What is the InChIKey of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide?
The InChIKey is QEQXZWRGKUGMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-16-12-21-10-9-20(18(24)14(21)11-15(16)22)8-7-19-17(23)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,19,23).
What are the key properties of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide?
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]benzamide is sourced from PubChem (CID 27378061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).