Cas no 41803-50-3 ( )
structure
Product Name:
CAS No:41803-50-3
MF:C15H14N2O3
MW:270.283263683319
CID:927387
PubChem ID:302495
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-benzamidopyridine-3-carboxylate
- 2-benzoylamino-nicotinic acid ethyl ester
- AC1L70MY
- AJ-333
- ethyl 2-(benzoylamino)nicotinate
- HMS2586E03
- NSC187567
- Oprea1_101185
- AJ-333/36115027
- NSC-187567
- MLS000703027
- SCHEMBL18640752
- SMR000226882
- DTXSID40307101
- CHEMBL1523318
- 41803-50-3
-
-
- Inchi： 1S/C15H14N2O3/c1-2-20-15(19)12-9-6-10-16-13(12)17-14(18)11-7-4-3-5-8-11/h3-10H,2H2,1H3,(H,16,17,18)
- InChI Key： SJRCBWAFYROSPB-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CC=CN=C1NC(C1C=CC=CC=1)=O)=O
Computed Properties
- Exact Mass: 270.10052
- Monoisotopic Mass: 270.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 68.3?2
Experimental Properties
- PSA: 68.29
- LogP: 2.58360
Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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