TL;DR: (2E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide (CAS 676443-34-8) is a chemical compound with molecular formula C12H10N4O and molecular weight 226.08546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
Also Known As: (E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)acrylamide, (2E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide, (E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide, (E)-2-cyano-3-(5,7-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-9-yl)-N-methyl-prop-2-enamide
| Molecular Formula | C12H10N4O |
| Molecular Weight | 226.08546 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08546 Da |
| Heavy Atoms | 17 |
| Complexity | 381.0 |
| SMILES | CNC(=O)/C(=C/C1=CNC2=C1C=CC=N2)/C#N |
| InChIKey | ZUPDOFVDAVADLB-VMPITWQZSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide. Following Lipinski's Rule of Five, (2E)-2-cyano-N-methyl-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 (2E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is 676443-34-8.
The molecular formula of (2E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is C12H10N4O.
The molecular weight of (2E)-2-cyano-N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide is 226.08546 g/mol.
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