2-(4-phenoxyphenyl)-6-(1-prop-2-enoyl-4-piperidyl)pyridine-3-carboxamide
Inhibitor information
- CovInDB Inhibitor
- CI008329
- Name
- 2-(4-phenoxyphenyl)-6-(1-prop-2-enoyl-4-piperidyl)pyridine-3-carboxamide
- Molecular Formula
- C26H25N3O3
- Molecular Weight
- 427.1895917 g/mol
- Structure
-
- IUPAC Name
- 2-(4-phenoxyphenyl)-6-(1-prop-2-enoyl-4-piperidyl)pyridine-3-carboxamide
- InChI
- InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)
- InChI Key
- MZPVEMOYADUARK-UHFFFAOYSA-N
- Canonical SMILES
- C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1
- Cocrystal structures
- No cocrystal structures found for this inhibitor.
Calculated Properties
- Molecular Weight
-
427.1895917 g/mol
Computed by RDKit
- logP
-
4.09
Computed by ALOGPS
- logS
-
-5.25
Computed by ALOGPS
- Heavy Atom Count
-
32
Computed by RDKit
- Ring Count
-
4
Computed by RDKit
- Hydrogen Bond Acceptor Count
-
4
Computed by RDKit
- Hydrogen Bond Donor Count
-
1
Computed by RDKit
- Rotatable Bond Count
-
6
Computed by RDKit
- Topological Polar Surface Area
-
85.52 Å2
Computed by RDKit
3D Structure
targets
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selectivity
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Similar compounds in Virtual Screening library
Similar Natural compounds
No similar natural compounds found for this inhibitor.