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85084-02-2 | 2-Pyrrolidinecarboxamide, 1-(3-pyridinylcarbonyl)-, (S)-
CAS No: 85084-02-2 Catalog No: AG004OOF MDL No:
Product Description
Catalog Number:
AG004OOF
Chemical Name:
2-Pyrrolidinecarboxamide, 1-(3-pyridinylcarbonyl)-, (S)-
CAS Number:
85084-02-2
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C11H13N3O2/c12-10(15)9-4-2-6-14(9)11(16)8-3-1-5-13-7-8/h1,3,5,7,9H,2,4,6H2,(H2,12,15)/t9-/m0/s1
InChI Key:
PQOMDRGIVXJPLV-VIFPVBQESA-N
SMILES:
NC(=O)[C@@H]1CCCN1C(=O)c1cccnc1
NSC Number:
370465
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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