(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine

C20H17Cl2N3 — CID 46228701

IUPAC(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(CCc2ccccc2)cc1
InChIInChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+
InChIKeyYISROAXJSWMRDM-HZHRSRAPSA-N
MW370.28 g/mol
LogP4.97
Rot. Bonds5

About (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine

(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine (PubChem CID 46228701) has the molecular formula C20H17Cl2N3 and a molecular weight of 370.28 g/mol. Its IUPAC name is (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine
PubChem CID46228701
Molecular FormulaC20H17Cl2N3
Molecular Weight370.28 g/mol
Exact Mass369.08
IUPAC Name(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(CCc2ccccc2)cc1
InChIInChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+
InChIKeyYISROAXJSWMRDM-HZHRSRAPSA-N
XLogP4.97
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine?
The IUPAC name of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine (CID 46228701) is (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine.
What is the SMILES notation for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine?
The canonical SMILES for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine is Clc1cccc(Cl)c1/C=N/N=c1ccn(CCc2ccccc2)cc1.
What is the InChIKey of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine?
The InChIKey is YISROAXJSWMRDM-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H17Cl2N3/c21-19-7-4-8-20(22)18(19)15-23-24-17-10-13-25(14-11-17)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-15H,9,12H2/b23-15+.
What are the key properties of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine?
(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine has a molecular weight of 370.28 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(2-phenylethyl)pyridin-4-imine is sourced from PubChem (CID 46228701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).