bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine

C37H36N6O4 — CID 67748383

IUPACbis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine
SMILESC=CCc1ccnc(-c2ccccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
InChIInChI=1S/C13H12N2.2C12H12N2O2/c1-2-5-11-7-9-15-13(10-11)12-6-3-4-8-14-12;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h2-4,6-10H,1,5H2;2*3-8H,1-2H3
InChIKeyNQOJJQPECPWYAA-UHFFFAOYSA-N
MW628.73 g/mol
LogP7.19
Rot. Bonds9

About bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine

bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine (PubChem CID 67748383) has the molecular formula C37H36N6O4 and a molecular weight of 628.73 g/mol. Its IUPAC name is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine
PubChem CID67748383
Molecular FormulaC37H36N6O4
Molecular Weight628.73 g/mol
Exact Mass628.28
IUPAC Namebis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine
SMILESC=CCc1ccnc(-c2ccccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1
InChIInChI=1S/C13H12N2.2C12H12N2O2/c1-2-5-11-7-9-15-13(10-11)12-6-3-4-8-14-12;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h2-4,6-10H,1,5H2;2*3-8H,1-2H3
InChIKeyNQOJJQPECPWYAA-UHFFFAOYSA-N
XLogP7.19
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.73
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine?
The IUPAC name of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine (CID 67748383) is bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine.
What is the SMILES notation for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine?
The canonical SMILES for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine is C=CCc1ccnc(-c2ccccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.COc1ccnc(-c2cc(OC)ccn2)c1.
What is the InChIKey of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine?
The InChIKey is NQOJJQPECPWYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.2C12H12N2O2/c1-2-5-11-7-9-15-13(10-11)12-6-3-4-8-14-12;2*1-15-9-3-5-13-11(7-9)12-8-10(16-2)4-6-14-12/h2-4,6-10H,1,5H2;2*3-8H,1-2H3.
What are the key properties of bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine?
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine has a molecular weight of 628.73 g/mol, XLogP of 7.19, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);4-prop-2-enyl-2-pyridin-2-ylpyridine is sourced from PubChem (CID 67748383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).