TL;DR: N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide (CAS 1022917-57-2) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
Also Known As: N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide, N-{3-methyl-1-oxo-1-[(pyridin-2-ylmethyl)amino]butan-2-yl}benzamide, N-(2-methyl-1-{[(2-pyridinylmethyl)amino]carbonyl}propyl)benzamide (non-preferred name)
| Molecular Formula | C18H21N3O2 |
| Molecular Weight | 311.1634 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.1634 Da |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
| SMILES | CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC=CC=C2 |
| InChIKey | MALUHLIJGCIEHU-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide. Following Lipinski's Rule of Five, N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide 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 N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide is 1022917-57-2.
The molecular formula of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide is C18H21N3O2.
The molecular weight of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide is 311.1634 g/mol.
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