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

C18H25N3O4 — CID 27378060

IUPAC2-cyclopentyl-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)CC1CCCC1)CC2
InChIInChI=1S/C18H25N3O4/c1-25-16-12-21-9-8-20(18(24)14(21)11-15(16)22)7-6-19-17(23)10-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,19,23)
InChIKeyOQOOIZNSDJBVDP-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.01
Rot. Bonds6

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

2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide (PubChem CID 27378060) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide
PubChem CID27378060
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-cyclopentyl-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)CC1CCCC1)CC2
InChIInChI=1S/C18H25N3O4/c1-25-16-12-21-9-8-20(18(24)14(21)11-15(16)22)7-6-19-17(23)10-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,19,23)
InChIKeyOQOOIZNSDJBVDP-UHFFFAOYSA-N
XLogP1.01
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide (CID 27378060) is 2-cyclopentyl-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-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-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)CC1CCCC1)CC2.
What is the InChIKey of 2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
The InChIKey is OQOOIZNSDJBVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-25-16-12-21-9-8-20(18(24)14(21)11-15(16)22)7-6-19-17(23)10-13-4-2-3-5-13/h11-13H,2-10H2,1H3,(H,19,23).
What are the key properties of 2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide?
2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]acetamide is sourced from PubChem (CID 27378060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).