| Formula |
C21H25N5O3 |
| IUPAC Name |
2-[4-[[2-[(2s,5r)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-1-piperidyl]pyridine-4-carboxylic acid |
| Molecular Mass |
395.455 g·mol−1 |
| Heat of Formation |
-46.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.52 ± 1.08 D |
| Volume |
484.32 Å 3 |
| Surface Area |
414.66 Å 2 |
| HOMO Energy |
-8.32 ± 0.55 eV |
| LUMO Energy |
-0.48 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[4-[[2-[(2s,5r)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]-4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid
- 2-[4-[[2-[(2s,5r)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-keto-ethyl]amino]-4-methyl-1-piperidyl]isonicotinic acid
- 2-[4-[[2-[(2s,5r)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-1-piperidyl]pyridine-4-carboxylic acid
- 2-[4-[[2-[(2s,5r)-2-cyano-5-ethynyl-pyrrolidin-1-yl]-2-oxo-ethyl]amino]-4-methyl-piperidin-1-yl]pyridine-4-carboxylic acid
- 2-[4-[[2-[(2s,5r)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl]amino]-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid
|
| InChIKey |
FIMRNLAKAARHPD-IRXDYDNUSA-N |
| QR Code |
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| Links |
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| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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