| CAS Number | 1314988-21-0 |
| Catalog Number | AG000WCL(AGN-PC-0WAAYG) |
| Chemical Name | 5-[3-(Pyrrolidinocarbonyl]phenyl]pyridin-2-amine |
| IUPAC Name | [3-(6-aminopyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C16H17N3O/c17-15-7-6-14(11-18-15)12-4-3-5-13(10-12)16(20)19-8-1-2-9-19/h3-7,10-11H,1-2,8-9H2,(H2,17,18) |
| InChI Key | AXOZWUKTUHSHEW-UHFFFAOYSA-N |
| MDL Number | MFCD19684213 |
| Molecular Formula | C16H17N3O |
| Molecular Weight | 267.3257 |
| SMILES | Nc1ccc(cn1)c1cccc(c1)C(=O)N1CCCC1 |
| Synonyms | 1314988-21-0,
5-[3-(pyrrolidinocarbonyl]phenyl]pyridin-2-amine,
(3-(6-aminopyridin-3-yl)phenyl)(pyrrolidin-1-yl)methanone,
[3-(6-Aminopyridin-3-yl)phenyl](pyrrolidin-1-yl)methanone,
ACMC-209bmy,
CTK8B0131,
DTXSID20718574,
ANW-19352,
MFCD19684213,
ZINC85476800,
TC-108097,
Z9619,
B-8694,
5-{3-[(Pyrrolidin-1-yl)carbonyl]phenyl}pyridin-2-amine,
Methanone, [3-(6-amino-3-pyridinyl)phenyl]-1-pyrrolidinyl-,
C16H17N3O,
AXOZWUKTUHSHEW-UHFFFAOYSA-N,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.332g/mol |
| Monoisotopic Mass | 267.137g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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