[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate

C26H21N3O2 — CID 24829376

IUPAC[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C26H21N3O2/c1-18(2)26(30)31-17-19-9-11-20(12-10-19)21-15-24(22-7-3-5-13-27-22)29-25(16-21)23-8-4-6-14-28-23/h3-16H,1,17H2,2H3
InChIKeyHZMLEFFSPKHMGN-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.49
Rot. Bonds6

About [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate

[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate (PubChem CID 24829376) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate
PubChem CID24829376
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C26H21N3O2/c1-18(2)26(30)31-17-19-9-11-20(12-10-19)21-15-24(22-7-3-5-13-27-22)29-25(16-21)23-8-4-6-14-28-23/h3-16H,1,17H2,2H3
InChIKeyHZMLEFFSPKHMGN-UHFFFAOYSA-N
XLogP5.49
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 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-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate (CID 24829376) is [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate?
The InChIKey is HZMLEFFSPKHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-18(2)26(30)31-17-19-9-11-20(12-10-19)21-15-24(22-7-3-5-13-27-22)29-25(16-21)23-8-4-6-14-28-23/h3-16H,1,17H2,2H3.
What are the key properties of [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate?
[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 407.47 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 24829376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).