[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate

C23H20N2O2 — CID 90239033

IUPAC[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1
InChIInChI=1S/C23H20N2O2/c1-16(2)23(26)27-20-8-6-18(7-9-20)4-5-19-11-13-25-22(15-19)21-14-17(3)10-12-24-21/h4-15H,1H2,2-3H3/b5-4+
InChIKeyUFKRBOWWIGBJMF-SNAWJCMRSA-N
MW356.43 g/mol
LogP5.10
Rot. Bonds5

About [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate

[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 90239033) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
PubChem CID90239033
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1
InChIInChI=1S/C23H20N2O2/c1-16(2)23(26)27-20-8-6-18(7-9-20)4-5-19-11-13-25-22(15-19)21-14-17(3)10-12-24-21/h4-15H,1H2,2-3H3/b5-4+
InChIKeyUFKRBOWWIGBJMF-SNAWJCMRSA-N
XLogP5.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate 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 [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate (CID 90239033) is [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(/C=C/c2ccnc(-c3cc(C)ccn3)c2)cc1.
What is the InChIKey of [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is UFKRBOWWIGBJMF-SNAWJCMRSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-16(2)23(26)27-20-8-6-18(7-9-20)4-5-19-11-13-25-22(15-19)21-14-17(3)10-12-24-21/h4-15H,1H2,2-3H3/b5-4+.
What are the key properties of [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate has a molecular weight of 356.43 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 90239033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).