3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile

C26H25N7O — CID 143178455

IUPAC3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile
SMILESN#Cc1cccc(C(c2cccc(ONNCCN)n2)C(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C26H25N7O/c27-11-14-31-33-34-24-10-2-9-23(32-24)26(20-6-1-5-19(15-20)16-28)25(21-7-3-12-29-17-21)22-8-4-13-30-18-22/h1-10,12-13,15,17-18,25-26,31,33H,11,14,27H2
InChIKeyWJOSSTNHRJTGMF-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.05
Rot. Bonds10

About 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile

3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile (PubChem CID 143178455) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile
PubChem CID143178455
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile
SMILESN#Cc1cccc(C(c2cccc(ONNCCN)n2)C(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C26H25N7O/c27-11-14-31-33-34-24-10-2-9-23(32-24)26(20-6-1-5-19(15-20)16-28)25(21-7-3-12-29-17-21)22-8-4-13-30-18-22/h1-10,12-13,15,17-18,25-26,31,33H,11,14,27H2
InChIKeyWJOSSTNHRJTGMF-UHFFFAOYSA-N
XLogP3.05
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile 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 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile?
The IUPAC name of 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile (CID 143178455) is 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile.
What is the SMILES notation for 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile?
The canonical SMILES for 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile is N#Cc1cccc(C(c2cccc(ONNCCN)n2)C(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile?
The InChIKey is WJOSSTNHRJTGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c27-11-14-31-33-34-24-10-2-9-23(32-24)26(20-6-1-5-19(15-20)16-28)25(21-7-3-12-29-17-21)22-8-4-13-30-18-22/h1-10,12-13,15,17-18,25-26,31,33H,11,14,27H2.
What are the key properties of 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile?
3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile has a molecular weight of 451.53 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-[2-(2-aminoethyl)hydrazinyl]oxy-2-pyridinyl]-2,2-dipyridin-3-ylethyl]benzonitrile is sourced from PubChem (CID 143178455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).