5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile

C17H16N4O2 — CID 147688494

IUPAC5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCCCCCOc2ccnc(C#N)c2)cn1
InChIInChI=1S/C17H16N4O2/c18-11-14-4-5-17(13-21-14)23-9-3-1-2-8-22-16-6-7-20-15(10-16)12-19/h4-7,10,13H,1-3,8-9H2
InChIKeyGQMPPMBBPGBBBI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.85
Rot. Bonds8

About 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile

5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile (PubChem CID 147688494) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile
PubChem CID147688494
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile
SMILESN#Cc1ccc(OCCCCCOc2ccnc(C#N)c2)cn1
InChIInChI=1S/C17H16N4O2/c18-11-14-4-5-17(13-21-14)23-9-3-1-2-8-22-16-6-7-20-15(10-16)12-19/h4-7,10,13H,1-3,8-9H2
InChIKeyGQMPPMBBPGBBBI-UHFFFAOYSA-N
XLogP2.85
TPSA91.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-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 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile?
The IUPAC name of 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile (CID 147688494) is 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile?
The canonical SMILES for 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile is N#Cc1ccc(OCCCCCOc2ccnc(C#N)c2)cn1.
What is the InChIKey of 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile?
The InChIKey is GQMPPMBBPGBBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-11-14-4-5-17(13-21-14)23-9-3-1-2-8-22-16-6-7-20-15(10-16)12-19/h4-7,10,13H,1-3,8-9H2.
What are the key properties of 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile?
5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 147688494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).