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

C23H20N2O2 — CID 123271905

IUPAC[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C=Cc2ccnc(-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
InChIKeyUFKRBOWWIGBJMF-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.10
Rot. Bonds5

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

[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate (PubChem CID 123271905) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
PubChem CID123271905
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(C=Cc2ccnc(-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
InChIKeyUFKRBOWWIGBJMF-UHFFFAOYSA-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'}

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Related Compounds

[4-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 90239033
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-(2-quinolin-4-ylethenyl)phenyl] 2-methylprop-2-enoate
CID 67642665
[4-[2-[4-[2-[2-fluoro-4-[2-[4-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 123579175
2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59005134
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine
CID 102322507
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
[4-[(E)-2-[5-methyl-2-(2-methylprop-2-enoyloxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118975635
4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-[4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-pyridinyl]pyridine
CID 102087576
[4-[(E)-2-[2,5-bis(2-methylprop-2-enoxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118907437
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 70479424

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate (CID 123271905) is [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(C=Cc2ccnc(-c3cc(C)ccn3)c2)cc1.
What is the InChIKey of [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
The InChIKey is UFKRBOWWIGBJMF-UHFFFAOYSA-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.
What are the key properties of [4-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate?
[4-[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-[2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123271905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).