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

C16H23N3O4 — CID 27457075

IUPACN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCN1CCn2cc(OC)c(=O)cc2C1=O
InChIInChI=1S/C16H23N3O4/c1-3-4-5-15(21)17-6-7-18-8-9-19-11-14(23-2)13(20)10-12(19)16(18)22/h10-11H,3-9H2,1-2H3,(H,17,21)
InChIKeyDYQQFYPUVGUWNK-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.62
Rot. Bonds7

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

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide (PubChem CID 27457075) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide
PubChem CID27457075
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCN1CCn2cc(OC)c(=O)cc2C1=O
InChIInChI=1S/C16H23N3O4/c1-3-4-5-15(21)17-6-7-18-8-9-19-11-14(23-2)13(20)10-12(19)16(18)22/h10-11H,3-9H2,1-2H3,(H,17,21)
InChIKeyDYQQFYPUVGUWNK-UHFFFAOYSA-N
XLogP0.62
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.62
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]pentanamide?
The IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide (CID 27457075) is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is DYQQFYPUVGUWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-4-5-15(21)17-6-7-18-8-9-19-11-14(23-2)13(20)10-12(19)16(18)22/h10-11H,3-9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide?
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]pentanamide has a molecular weight of 321.38 g/mol, XLogP of 0.62, 7 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]pentanamide is sourced from PubChem (CID 27457075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).