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

C15H19N3O4 — CID 27378042

IUPACN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)C1CC1)CC2
InChIInChI=1S/C15H19N3O4/c1-22-13-9-18-7-6-17(15(21)11(18)8-12(13)19)5-4-16-14(20)10-2-3-10/h8-10H,2-7H2,1H3,(H,16,20)
InChIKeyZSOUSRTZSZKWEO-UHFFFAOYSA-N
MW305.33 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]cyclopropanecarboxamide

N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 27378042) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID27378042
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide
SMILESCOc1cn2c(cc1=O)C(=O)N(CCNC(=O)C1CC1)CC2
InChIInChI=1S/C15H19N3O4/c1-22-13-9-18-7-6-17(15(21)11(18)8-12(13)19)5-4-16-14(20)10-2-3-10/h8-10H,2-7H2,1H3,(H,16,20)
InChIKeyZSOUSRTZSZKWEO-UHFFFAOYSA-N
XLogP-0.16
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
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]cyclopropanecarboxamide?
The IUPAC name of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide (CID 27378042) is N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide is COc1cn2c(cc1=O)C(=O)N(CCNC(=O)C1CC1)CC2.
What is the InChIKey of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is ZSOUSRTZSZKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-22-13-9-18-7-6-17(15(21)11(18)8-12(13)19)5-4-16-14(20)10-2-3-10/h8-10H,2-7H2,1H3,(H,16,20).
What are the key properties of N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-(7-methoxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 305.33 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]cyclopropanecarboxamide is sourced from PubChem (CID 27378042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).