TL;DR: (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (CAS 157561-97-2) is a chemical compound with molecular formula C17H12N4O and molecular weight 288.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
Also Known As: 2-PROPENAMIDE, 2-CYANO-N-PHENYL-3-(1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-, (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide, 2-cyano-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamide, 2-Cyan-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamid, 2-Propenamide,2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-
| Molecular Formula | C17H12N4O |
| Molecular Weight | 288.1011 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.1011 Da |
| Heavy Atoms | 22 |
| Complexity | 486.0 |
| SMILES | C1=CC=C(C=C1)NC(=O)/C(=C/C2=CNC3=C2C=CC=N3)/C#N |
| InChIKey | IQDSZOWCXCQZOB-FMIVXFBMSA-N |
The XLogP value of 3.1 indicates that (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is 157561-97-2.
The molecular formula of (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is C17H12N4O.
The molecular weight of (E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is 288.1011 g/mol.
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