(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine

C18H19N3O — CID 142517548

IUPAC(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C\C(=C/C)c1ccccn1)OC(C)c1ccccn1
InChIInChI=1S/C18H19N3O/c1-4-16(18-10-6-8-12-20-18)13-21-15(3)22-14(2)17-9-5-7-11-19-17/h4-14H,3H2,1-2H3/b16-4+,21-13-
InChIKeyCGXDJADENPZOBX-VCYKWOIMSA-N
MW293.37 g/mol
LogP4.20
Rot. Bonds6

About (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine

(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine (PubChem CID 142517548) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine
PubChem CID142517548
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C\C(=C/C)c1ccccn1)OC(C)c1ccccn1
InChIInChI=1S/C18H19N3O/c1-4-16(18-10-6-8-12-20-18)13-21-15(3)22-14(2)17-9-5-7-11-19-17/h4-14H,3H2,1-2H3/b16-4+,21-13-
InChIKeyCGXDJADENPZOBX-VCYKWOIMSA-N
XLogP4.20
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine with MolForge

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Related Compounds

(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine
CID 142517593
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
1-pyridin-2-ylethyl N-(aminomethylidene)carbamate
CID 91804895
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
2-(1-propan-2-yloxyethenyl)pyridine
CID 15561064
(Z,Z)-N-[1-[2-(1-azacyclohepta-2,5,6-trien-1-yl)ethoxy]ethenyl]-2-pyridin-2-ylbut-2-en-1-imine
CID 142517423
2-[[(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-yl]oxymethyl]-1,3-thiazole
CID 142517592
N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
CID 142517363
1-pyridin-2-ylethyl propanoate
CID 141268318
[(1S)-1-pyridin-2-ylethyl] methanesulfonate
CID 11790238
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine?
The IUPAC name of (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine (CID 142517548) is (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine?
The canonical SMILES for (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine is C=C(/N=C\C(=C/C)c1ccccn1)OC(C)c1ccccn1.
What is the InChIKey of (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine?
The InChIKey is CGXDJADENPZOBX-VCYKWOIMSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-16(18-10-6-8-12-20-18)13-21-15(3)22-14(2)17-9-5-7-11-19-17/h4-14H,3H2,1-2H3/b16-4+,21-13-.
What are the key properties of (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine?
(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine has a molecular weight of 293.37 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine is sourced from PubChem (CID 142517548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).