4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine

C18H16N4 — CID 71606501

IUPAC4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine
SMILESNc1ccc(N(/N=C/c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C18H16N4/c19-15-9-11-18(12-10-15)22(17-7-2-1-3-8-17)21-14-16-6-4-5-13-20-16/h1-14H,19H2/b21-14+
InChIKeyOPCUEOWHTGSBHY-KGENOOAVSA-N
MW288.35 g/mol
LogP3.84
Rot. Bonds4

About 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine

4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine (PubChem CID 71606501) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine
PubChem CID71606501
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine
SMILESNc1ccc(N(/N=C/c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C18H16N4/c19-15-9-11-18(12-10-15)22(17-7-2-1-3-8-17)21-14-16-6-4-5-13-20-16/h1-14H,19H2/b21-14+
InChIKeyOPCUEOWHTGSBHY-KGENOOAVSA-N
XLogP3.84
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N-[(E)-pyridin-2-ylmethylideneamino]naphthalen-2-amine
CID 71606172
N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N',N'-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethane-1,2-diamine
CID 135011278
N-tert-butyl-1-pyridin-2-ylmethanimine
CID 11389570
N-[[10-[(E)-(diphenylhydrazinylidene)methyl]phenanthren-9-yl]methylideneamino]-N-phenylaniline
CID 172940453
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N-phenoxy-1-pyridin-2-ylmethanimine
CID 54492053
N,N-dimethyl-3-(pyridin-2-ylmethylideneamino)aniline
CID 155931686

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine?
The IUPAC name of 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine (CID 71606501) is 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine.
What is the SMILES notation for 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine?
The canonical SMILES for 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine is Nc1ccc(N(/N=C/c2ccccn2)c2ccccc2)cc1.
What is the InChIKey of 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine?
The InChIKey is OPCUEOWHTGSBHY-KGENOOAVSA-N. The full InChI is InChI=1S/C18H16N4/c19-15-9-11-18(12-10-15)22(17-7-2-1-3-8-17)21-14-16-6-4-5-13-20-16/h1-14H,19H2/b21-14+.
What are the key properties of 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine?
4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-4-N-[(E)-pyridin-2-ylmethylideneamino]benzene-1,4-diamine is sourced from PubChem (CID 71606501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).