1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one

C22H26ClN5O2 — CID 58869673

IUPAC1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
SMILESCc1cnc(NCCOc2ccccn2)c(=O)n1CCNCCc1cccc(Cl)c1
InChIInChI=1S/C22H26ClN5O2/c1-17-16-27-21(26-12-14-30-20-7-2-3-9-25-20)22(29)28(17)13-11-24-10-8-18-5-4-6-19(23)15-18/h2-7,9,15-16,24H,8,10-14H2,1H3,(H,26,27)
InChIKeyDINIPJYRBTXUKF-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.92
Rot. Bonds11

About 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one

1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one (PubChem CID 58869673) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
PubChem CID58869673
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one
SMILESCc1cnc(NCCOc2ccccn2)c(=O)n1CCNCCc1cccc(Cl)c1
InChIInChI=1S/C22H26ClN5O2/c1-17-16-27-21(26-12-14-30-20-7-2-3-9-25-20)22(29)28(17)13-11-24-10-8-18-5-4-6-19(23)15-18/h2-7,9,15-16,24H,8,10-14H2,1H3,(H,26,27)
InChIKeyDINIPJYRBTXUKF-UHFFFAOYSA-N
XLogP2.92
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
The IUPAC name of 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one (CID 58869673) is 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one.
What is the SMILES notation for 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
The canonical SMILES for 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one is Cc1cnc(NCCOc2ccccn2)c(=O)n1CCNCCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
The InChIKey is DINIPJYRBTXUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-17-16-27-21(26-12-14-30-20-7-2-3-9-25-20)22(29)28(17)13-11-24-10-8-18-5-4-6-19(23)15-18/h2-7,9,15-16,24H,8,10-14H2,1H3,(H,26,27).
What are the key properties of 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one?
1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one has a molecular weight of 427.94 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chlorophenyl)ethylamino]ethyl]-6-methyl-3-(2-pyridin-2-yloxyethylamino)pyrazin-2-one is sourced from PubChem (CID 58869673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).