| CAS Number | 247016-69-9 |
| Catalog Number | AG002P3B(AGN-PC-0R0HBI) |
| Chemical Name | Nvp-728 |
| IUPAC Name | 6-[2-[[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]amino]ethylamino]pyridine-3-carbonitrile;dihydrochloride |
| InChI | InChI=1S/C15H18N6O.2ClH/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17;;/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20);2*1H |
| InChI Key | VNACOBVZDCLAEV-UHFFFAOYSA-N |
| MDL Number | MFCD12828773 |
| Molecular Formula | C15H18N6O |
| Molecular Weight | 298.3430 |
| SMILES | c1cc(ncc1C#N)NCCNCC(=O)N2CCC[C@H]2C#N |
| Synonyms | NVP DPP 728 DIHYDROCHLORIDE,
247016-69-9,
SCHEMBL356224,
CTK8E9348,
DTXSID70624696,
RT-014773,
6-[(2-{[2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl]amino}ethyl)amino]pyridine-3-carbonitrile--hydrogen chloride (1/2),
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| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.266g/mol |
| Monoisotopic Mass | 370.108g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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