(Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C18H23N5O — CID 11370781

IUPAC(Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C18H23N5O/c1-24-21-17(16-5-4-8-19-15-16)7-10-22-11-13-23(14-12-22)18-6-2-3-9-20-18/h2-6,8-9,15H,7,10-14H2,1H3/b21-17-
InChIKeyXSMJOXYQXGOXQV-FXBPSFAMSA-N
MW325.42 g/mol
LogP2.04
Rot. Bonds6

About (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

(Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11370781) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11370781
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccnc1
InChIInChI=1S/C18H23N5O/c1-24-21-17(16-5-4-8-19-15-16)7-10-22-11-13-23(14-12-22)18-6-2-3-9-20-18/h2-6,8-9,15H,7,10-14H2,1H3/b21-17-
InChIKeyXSMJOXYQXGOXQV-FXBPSFAMSA-N
XLogP2.04
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine 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 (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11370781) is (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CO/N=C(/CCN1CCN(c2ccccn2)CC1)c1cccnc1.
What is the InChIKey of (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is XSMJOXYQXGOXQV-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H23N5O/c1-24-21-17(16-5-4-8-19-15-16)7-10-22-11-13-23(14-12-22)18-6-2-3-9-20-18/h2-6,8-9,15H,7,10-14H2,1H3/b21-17-.
What are the key properties of (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 325.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-1-pyridin-3-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11370781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).