Cas no 23338-80-9 (3-Pyridinecarboxamide,1,2-dihydro-1-methyl-)
23338-80-9 structure
Product Name:3-Pyridinecarboxamide,1,2-dihydro-1-methyl-
CAS No:23338-80-9
MF:C7H10N2O
MW:138.167101383209
CID:251963
PubChem ID:17944990
Update Time:2025-04-19
3-Pyridinecarboxamide,1,2-dihydro-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxamide,1,2-dihydro-1-methyl-
- Nicotinamide,1,2-dihydro-1-methyl- (6CI,8CI)
- 1-methyl-2H-pyridine-3-carboxamide
- SCHEMBL132243
- 1-Methyl-1,2-dihydropyridine-3-carboxamide
- 23338-80-9
-
- Inchi： 1S/C7H10N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-4H,5H2,1H3,(H2,8,10)
- InChI Key： CRJFOPZHQMBHNQ-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CN(C)C1)N
Computed Properties
- Exact Mass: 138.0794
- Monoisotopic Mass: 138.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 206
- 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: -0.1
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.33
3-Pyridinecarboxamide,1,2-dihydro-1-methyl- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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