N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride

C20H26Cl2N6 — CID 67929391

IUPACN-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride
SMILESC(=NN1CCCC1)c1cccc(-c2cccc(C=NN3CCCC3)n2)n1.Cl.Cl
InChIInChI=1S/C20H24N6.2ClH/c1-2-12-25(11-1)21-15-17-7-5-9-19(23-17)20-10-6-8-18(24-20)16-22-26-13-3-4-14-26;;/h5-10,15-16H,1-4,11-14H2;2*1H
InChIKeyVGBDOICKSFMZNR-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.85
Rot. Bonds5

About N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride

N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride (PubChem CID 67929391) has the molecular formula C20H26Cl2N6 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride
PubChem CID67929391
Molecular FormulaC20H26Cl2N6
Molecular Weight421.38 g/mol
Exact Mass420.16
IUPAC NameN-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride
SMILESC(=NN1CCCC1)c1cccc(-c2cccc(C=NN3CCCC3)n2)n1.Cl.Cl
InChIInChI=1S/C20H24N6.2ClH/c1-2-12-25(11-1)21-15-17-7-5-9-19(23-17)20-10-6-8-18(24-20)16-22-26-13-3-4-14-26;;/h5-10,15-16H,1-4,11-14H2;2*1H
InChIKeyVGBDOICKSFMZNR-UHFFFAOYSA-N
XLogP3.85
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride 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 N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride?
The IUPAC name of N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride (CID 67929391) is N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride.
What is the SMILES notation for N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride?
The canonical SMILES for N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride is C(=NN1CCCC1)c1cccc(-c2cccc(C=NN3CCCC3)n2)n1.Cl.Cl.
What is the InChIKey of N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride?
The InChIKey is VGBDOICKSFMZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6.2ClH/c1-2-12-25(11-1)21-15-17-7-5-9-19(23-17)20-10-6-8-18(24-20)16-22-26-13-3-4-14-26;;/h5-10,15-16H,1-4,11-14H2;2*1H.
What are the key properties of N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride?
N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride has a molecular weight of 421.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-1-yl-1-[6-[6-(pyrrolidin-1-yliminomethyl)-2-pyridinyl]-2-pyridinyl]methanimine;dihydrochloride is sourced from PubChem (CID 67929391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).