[4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate

C32H24N6O3 — CID 146558563

IUPAC[4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate
SMILES[H]/N=C(/Oc1ccc(/C=C/c2cc(O/C(=N/[H])c3cccnc3)cc(O/C(=N/[H])c3cccnc3)c2)cc1)c1cccnc1
InChIInChI=1S/C32H24N6O3/c33-30(24-4-1-13-36-19-24)39-27-11-9-22(10-12-27)7-8-23-16-28(40-31(34)25-5-2-14-37-20-25)18-29(17-23)41-32(35)26-6-3-15-38-21-26/h1-21,33-35H/b8-7+,33-30+,34-31+,35-32+
InChIKeyKFIDAGHQQGWQDT-GFVMUPJXSA-N
MW540.58 g/mol
LogP6.26
Rot. Bonds8

About [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate

[4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate (PubChem CID 146558563) has the molecular formula C32H24N6O3 and a molecular weight of 540.58 g/mol. Its IUPAC name is [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate.

Molecular Properties

Compound Name[4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate
PubChem CID146558563
Molecular FormulaC32H24N6O3
Molecular Weight540.58 g/mol
Exact Mass540.19
IUPAC Name[4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate
SMILES[H]/N=C(/Oc1ccc(/C=C/c2cc(O/C(=N/[H])c3cccnc3)cc(O/C(=N/[H])c3cccnc3)c2)cc1)c1cccnc1
InChIInChI=1S/C32H24N6O3/c33-30(24-4-1-13-36-19-24)39-27-11-9-22(10-12-27)7-8-23-16-28(40-31(34)25-5-2-14-37-20-25)18-29(17-23)41-32(35)26-6-3-15-38-21-26/h1-21,33-35H/b8-7+,33-30+,34-31+,35-32+
InChIKeyKFIDAGHQQGWQDT-GFVMUPJXSA-N
XLogP6.26
TPSA137.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.58
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbonate;pyridine-3-carboxylic acid
CID 174054814
cyano pyridine-3-carboximidate
CID 19734521
propyl pyridine-3-carboximidate
CID 11819373
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3965580
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 3277359
[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 6266025
1,2,3,4,5-pentadeuterio-6-[dideuterio-[3-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methoxy]-5-[(E)-2-[4-[dideuterio-(2,3,4,5,6-pentadeuteriophenyl)methoxy]phenyl]ethenyl]phenoxy]methyl]benzene
CID 171381377

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate?
The IUPAC name of [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate (CID 146558563) is [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate.
What is the SMILES notation for [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate?
The canonical SMILES for [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate is [H]/N=C(/Oc1ccc(/C=C/c2cc(O/C(=N/[H])c3cccnc3)cc(O/C(=N/[H])c3cccnc3)c2)cc1)c1cccnc1.
What is the InChIKey of [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate?
The InChIKey is KFIDAGHQQGWQDT-GFVMUPJXSA-N. The full InChI is InChI=1S/C32H24N6O3/c33-30(24-4-1-13-36-19-24)39-27-11-9-22(10-12-27)7-8-23-16-28(40-31(34)25-5-2-14-37-20-25)18-29(17-23)41-32(35)26-6-3-15-38-21-26/h1-21,33-35H/b8-7+,33-30+,34-31+,35-32+.
What are the key properties of [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate?
[4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate has a molecular weight of 540.58 g/mol, XLogP of 6.26, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[3,5-bis(pyridine-3-carboximidoyloxy)phenyl]ethenyl]phenyl] pyridine-3-carboximidate is sourced from PubChem (CID 146558563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).