2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile

C21H26N4O2 — CID 174362383

IUPAC2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile
SMILESCCOCCOc1nccc(-c2ccc(N3CCN(C)CC3)cc2)c1C#N
InChIInChI=1S/C21H26N4O2/c1-3-26-14-15-27-21-20(16-22)19(8-9-23-21)17-4-6-18(7-5-17)25-12-10-24(2)11-13-25/h4-9H,3,10-15H2,1-2H3
InChIKeyLVGFZZBJQVDZEQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile

2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile (PubChem CID 174362383) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile
PubChem CID174362383
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile
SMILESCCOCCOc1nccc(-c2ccc(N3CCN(C)CC3)cc2)c1C#N
InChIInChI=1S/C21H26N4O2/c1-3-26-14-15-27-21-20(16-22)19(8-9-23-21)17-4-6-18(7-5-17)25-12-10-24(2)11-13-25/h4-9H,3,10-15H2,1-2H3
InChIKeyLVGFZZBJQVDZEQ-UHFFFAOYSA-N
XLogP2.79
TPSA61.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile 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 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile (CID 174362383) is 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile is CCOCCOc1nccc(-c2ccc(N3CCN(C)CC3)cc2)c1C#N.
What is the InChIKey of 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile?
The InChIKey is LVGFZZBJQVDZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-26-14-15-27-21-20(16-22)19(8-9-23-21)17-4-6-18(7-5-17)25-12-10-24(2)11-13-25/h4-9H,3,10-15H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile?
2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile has a molecular weight of 366.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-4-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 174362383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).