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

C14H19N3O4 — CID 27457073

IUPACN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCn2cc(OC)c(=O)cc2C1=O
InChIInChI=1S/C14H19N3O4/c1-3-13(19)15-4-5-16-6-7-17-9-12(21-2)11(18)8-10(17)14(16)20/h8-9H,3-7H2,1-2H3,(H,15,19)
InChIKeyUNRPXPRTVCGTLD-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.16
Rot. Bonds5

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

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide (PubChem CID 27457073) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide
PubChem CID27457073
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCN1CCn2cc(OC)c(=O)cc2C1=O
InChIInChI=1S/C14H19N3O4/c1-3-13(19)15-4-5-16-6-7-17-9-12(21-2)11(18)8-10(17)14(16)20/h8-9H,3-7H2,1-2H3,(H,15,19)
InChIKeyUNRPXPRTVCGTLD-UHFFFAOYSA-N
XLogP-0.16
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.16
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]propanamide?
The IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide (CID 27457073) is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide is CCC(=O)NCCN1CCn2cc(OC)c(=O)cc2C1=O.
What is the InChIKey of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide?
The InChIKey is UNRPXPRTVCGTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-13(19)15-4-5-16-6-7-17-9-12(21-2)11(18)8-10(17)14(16)20/h8-9H,3-7H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide?
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]propanamide has a molecular weight of 293.32 g/mol, XLogP of -0.16, 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]propanamide is sourced from PubChem (CID 27457073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).