Cas no 72301-63-4 (3-Pyridinecarboxamide, N,N'-1,2-ethanediylbis[N-methyl-)
72301-63-4 structure
Product Name:3-Pyridinecarboxamide, N,N'-1,2-ethanediylbis[N-methyl-
CAS No:72301-63-4
MF:C16H18N4O2
MW:298.339723110199
CID:544179
PubChem ID:13300547
Update Time:2025-04-19
3-Pyridinecarboxamide, N,N'-1,2-ethanediylbis[N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- N-methyl-N-[2-[methyl(pyridine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
- N,N'-Dimethyl-N,N'-ethylenebis(nicotinamide)
- DTXSID80535683
- 72301-63-4
- SCHEMBL9763463
- N,N'-(Ethane-1,2-diyl)bis(N-methylpyridine-3-carboxamide)
- 3-Pyridinecarboxamide, N,N'-1,2-ethanediylbis[N-methyl-
-
- Inchi： 1S/C16H18N4O2/c1-19(15(21)13-5-3-7-17-11-13)9-10-20(2)16(22)14-6-4-8-18-12-14/h3-8,11-12H,9-10H2,1-2H3
- InChI Key： VEAPBWDGVWUTPW-UHFFFAOYSA-N
- SMILES： O=C(C1C=NC=CC=1)N(C)CCN(C)C(C1C=NC=CC=1)=O
Computed Properties
- Exact Mass: 298.14300
- Monoisotopic Mass: 298.14297583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 352
- 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: 0.4
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.40000
- LogP: 1.32080
3-Pyridinecarboxamide, N,N'-1,2-ethanediylbis[N-methyl- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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