(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine

C21H19Cl2N3 — CID 24894142

IUPAC(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(CCCc2ccccc2)cc1
InChIInChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+
InChIKeyIYOPZGMBVAUCQP-LFVJCYFKSA-N
MW384.31 g/mol
LogP5.36
Rot. Bonds6

About (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine

(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine (PubChem CID 24894142) has the molecular formula C21H19Cl2N3 and a molecular weight of 384.31 g/mol. Its IUPAC name is (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine.

Molecular Properties

Compound Name(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine
PubChem CID24894142
Molecular FormulaC21H19Cl2N3
Molecular Weight384.31 g/mol
Exact Mass383.10
IUPAC Name(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine
SMILESClc1cccc(Cl)c1/C=N/N=c1ccn(CCCc2ccccc2)cc1
InChIInChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+
InChIKeyIYOPZGMBVAUCQP-LFVJCYFKSA-N
XLogP5.36
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.31
LogP ≤ 55.36
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-(3-phenylpropyl)pyridin-4-imine?
The IUPAC name of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine (CID 24894142) is (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine.
What is the SMILES notation for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine?
The canonical SMILES for (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine is Clc1cccc(Cl)c1/C=N/N=c1ccn(CCCc2ccccc2)cc1.
What is the InChIKey of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine?
The InChIKey is IYOPZGMBVAUCQP-LFVJCYFKSA-N. The full InChI is InChI=1S/C21H19Cl2N3/c22-20-9-4-10-21(23)19(20)16-24-25-18-11-14-26(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-16H,5,8,13H2/b24-16+.
What are the key properties of (E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine?
(E)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-(3-phenylpropyl)pyridin-4-imine has a molecular weight of 384.31 g/mol, XLogP of 5.36, 6 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-(3-phenylpropyl)pyridin-4-imine is sourced from PubChem (CID 24894142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).