2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride

C25H30ClN5 — CID 44531250

IUPAC2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride
SMILESCl.N/C(=N\CCCc1ccccc1)c1cccc(/C(N)=N/CCCc2ccccc2)n1
InChIInChI=1S/C25H29N5.ClH/c26-24(28-18-8-14-20-10-3-1-4-11-20)22-16-7-17-23(30-22)25(27)29-19-9-15-21-12-5-2-6-13-21;/h1-7,10-13,16-17H,8-9,14-15,18-19H2,(H2,26,28)(H2,27,29);1H
InChIKeyBQKXCSYARIVOCQ-UHFFFAOYSA-N
MW436.00 g/mol
LogP4.18
Rot. Bonds10

About 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride

2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride (PubChem CID 44531250) has the molecular formula C25H30ClN5 and a molecular weight of 436.00 g/mol. Its IUPAC name is 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride
PubChem CID44531250
Molecular FormulaC25H30ClN5
Molecular Weight436.00 g/mol
Exact Mass435.22
IUPAC Name2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride
SMILESCl.N/C(=N\CCCc1ccccc1)c1cccc(/C(N)=N/CCCc2ccccc2)n1
InChIInChI=1S/C25H29N5.ClH/c26-24(28-18-8-14-20-10-3-1-4-11-20)22-16-7-17-23(30-22)25(27)29-19-9-15-21-12-5-2-6-13-21;/h1-7,10-13,16-17H,8-9,14-15,18-19H2,(H2,26,28)(H2,27,29);1H
InChIKeyBQKXCSYARIVOCQ-UHFFFAOYSA-N
XLogP4.18
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride 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-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride?
The IUPAC name of 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride (CID 44531250) is 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride.
What is the SMILES notation for 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride?
The canonical SMILES for 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride is Cl.N/C(=N\CCCc1ccccc1)c1cccc(/C(N)=N/CCCc2ccccc2)n1.
What is the InChIKey of 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride?
The InChIKey is BQKXCSYARIVOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5.ClH/c26-24(28-18-8-14-20-10-3-1-4-11-20)22-16-7-17-23(30-22)25(27)29-19-9-15-21-12-5-2-6-13-21;/h1-7,10-13,16-17H,8-9,14-15,18-19H2,(H2,26,28)(H2,27,29);1H.
What are the key properties of 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride?
2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',6-N'-bis(3-phenylpropyl)pyridine-2,6-dicarboximidamide;hydrochloride is sourced from PubChem (CID 44531250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).