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

C17H17N3O — CID 142517593

IUPAC(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C\C(=C/C)c1ccccn1)OCc1ccccn1
InChIInChI=1S/C17H17N3O/c1-3-15(17-9-5-7-11-19-17)12-20-14(2)21-13-16-8-4-6-10-18-16/h3-12H,2,13H2,1H3/b15-3+,20-12-
InChIKeyZVHXZJYLTVATPU-WRLIJJMJSA-N
MW279.34 g/mol
LogP3.64
Rot. Bonds6

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

(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine (PubChem CID 142517593) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine
PubChem CID142517593
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine
SMILESC=C(/N=C\C(=C/C)c1ccccn1)OCc1ccccn1
InChIInChI=1S/C17H17N3O/c1-3-15(17-9-5-7-11-19-17)12-20-14(2)21-13-16-8-4-6-10-18-16/h3-12H,2,13H2,1H3/b15-3+,20-12-
InChIKeyZVHXZJYLTVATPU-WRLIJJMJSA-N
XLogP3.64
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.64
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'}

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Related Compounds

(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine
CID 142517548
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107
(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)-penta-1,3-dien-3-yl]pyridine
CID 147592446
2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
CID 91037930
2-[[(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-yl]oxymethyl]-1,3-thiazole
CID 142517592
pyridin-2-ylmethyl 3-trimethylsilylpropanoate
CID 11962004
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
pyridin-2-ylmethyl 3,3-dimethyl-2-methylidenebutanoate
CID 11458652
N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
CID 142517363
pyridin-2-ylmethyl (E)-2-propylhex-2-enoate
CID 102384711
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine?
The IUPAC name of (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine (CID 142517593) is (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine.
What is the SMILES notation for (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine?
The canonical SMILES for (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine is C=C(/N=C\C(=C/C)c1ccccn1)OCc1ccccn1.
What is the InChIKey of (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine?
The InChIKey is ZVHXZJYLTVATPU-WRLIJJMJSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-15(17-9-5-7-11-19-17)12-20-14(2)21-13-16-8-4-6-10-18-16/h3-12H,2,13H2,1H3/b15-3+,20-12-.
What are the key properties of (Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine?
(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine has a molecular weight of 279.34 g/mol, XLogP of 3.64, 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-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine is sourced from PubChem (CID 142517593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).