N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulfonate (1:1) (CAS 1186649-91-1) — formula C31H29N3O5, molecular weight 523.6; category organic chemicals.
| CAS Number | 1186649-91-1 |
|---|---|
| Molecular Formula | C31H29N3O5 |
| Molecular Weight | 523.6 |
| LogP | 5.1 |
| Category | Organic Chemicals |
N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulfonate (1:1) is a carbon-based organic compound with CAS registry number 1186649-91-1 and molecular formula C31H29N3O5 (molecular weight 523.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1186649-91-1
Its molecular formula C31H29N3O5 comprises 31 C, 29 H, 3 N, 5 O atoms.
Also known as: N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulfonate (1:1) · N-[4-(1-氰基环戊基)苯基]-2-[(4-吡啶基甲基)氨基]烟酰胺甲磺酸盐 (1:1)
Category: organic chemicals
The CAS registry number of N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulfonate (1:1) is 1186649-91-1.
Molecular formula C31H29N3O5, molecular weight 523.6.
It is also registered under: N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulfonate (1:1), N-[4-(1-氰基环戊基)苯基]-2-[(4-吡啶基甲基)氨基]烟酰胺甲磺酸盐 (1:1).
Category: Organic Chemicals.
Independent reference data for N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulfonate (1:1) (CAS 1186649-91-1), compiled from public chemistry databases.
| CAS Registry Number | 1186649-91-1 |
|---|---|
| PubChem CID | 25246343 |
| Molecular formula | C31H29N3O5 |
| IUPAC name | N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide |
| Molecular Weight | 523.6 |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 523.21072103 |
| Monoisotopic Mass | 523.21072103 |
| Topological Polar Surface Area | 100 |
| Heavy Atom Count | 39 |
1186649-91-1; ML-109; N-(4-((5-(3-Benzyl-5-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxybenzyl)oxy)phenyl)acetamide; ML109; MFCD31746908; CHEMBL1515891; CHEBI:91942; AKOS037648530; ML-109?; NCGC00161870-01; AC-36479; BS-14451; CS-0069880; D81075; N-[4-[[5-(3-benzyl-5-hydroxy-4-oxo-1,2-dihydroquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide; Q27163740
N-[4-(1-Cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]nicotinamide methanesulfonate (1:1) · CAS 1186649-91-1 · C31H29N3O5.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.