TL;DR: N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide (CAS 676266-94-7) is a chemical compound with molecular formula C22H23ClN4OS and molecular weight 426.1281 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide
Also Known As: N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide, N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholinomethyl)pyrrol-1-yl]pyridine-4-carboxamide, N-[5-(4-chlorophenyl)-2-methyl-3-(1,4-thiazaperhydroin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide, N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide
| Molecular Formula | C22H23ClN4OS |
| Molecular Weight | 426.1281 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1281 Da |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
| SMILES | CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)CN4CCSCC4 |
| InChIKey | QHSYDNFPNHHBJB-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide. Following Lipinski's Rule of Five, N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide is 676266-94-7.
The molecular formula of N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide is C22H23ClN4OS.
The molecular weight of N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrolyl]-4-pyridylcarboxamide is 426.1281 g/mol.
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