N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide

C20H21N5O2 — CID 50904396

IUPACN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide
SMILESCCOc1ccc2c(NNC(=O)c3cnccn3)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H21N5O2/c1-2-27-13-7-8-15-17(11-13)23-16-6-4-3-5-14(16)19(15)24-25-20(26)18-12-21-9-10-22-18/h7-12H,2-6H2,1H3,(H,23,24)(H,25,26)
InChIKeyMKRBSSQZZJBYMP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.06
Rot. Bonds5

About N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide

N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide (PubChem CID 50904396) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide
PubChem CID50904396
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide
SMILESCCOc1ccc2c(NNC(=O)c3cnccn3)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H21N5O2/c1-2-27-13-7-8-15-17(11-13)23-16-6-4-3-5-14(16)19(15)24-25-20(26)18-12-21-9-10-22-18/h7-12H,2-6H2,1H3,(H,23,24)(H,25,26)
InChIKeyMKRBSSQZZJBYMP-UHFFFAOYSA-N
XLogP3.06
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide?
The IUPAC name of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide (CID 50904396) is N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide?
The canonical SMILES for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide is CCOc1ccc2c(NNC(=O)c3cnccn3)c3c(nc2c1)CCCC3.
What is the InChIKey of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide?
The InChIKey is MKRBSSQZZJBYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-2-27-13-7-8-15-17(11-13)23-16-6-4-3-5-14(16)19(15)24-25-20(26)18-12-21-9-10-22-18/h7-12H,2-6H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide?
N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide has a molecular weight of 363.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethoxy-1,2,3,4-tetrahydroacridin-9-yl)pyrazine-2-carbohydrazide is sourced from PubChem (CID 50904396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).