898229-84-0
3-PYRIDINECARBOXYLIC ACID, 5-CYANO-6-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-2-METHYL-, ETHYL ESTER
Name3-PYRIDINECARBOXYLIC ACID, 5-CYANO-6-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-2-METHYL-, ETHYL ESTER
1Identification
【Name】
3-PYRIDINECARBOXYLIC ACID, 5-CYANO-6-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-2-METHYL-, ETHYL ESTER
【CAS】
【MDL】
MFCD14707761
【English Synonyms】
【Formula】
C20 H28 N4 O4
【MolWeight】
388.465
【Inchi】
InChI=1S/C20H28N4O4/c1-6-27-18(25)16-11-14(12-21)17(22-13(16)2)24-9-7-15(8-10-24)23-19(26)28-20(3,4)5/h11,15H,6-10H2,1-5H3,(H,23,26)
【InChIKey】
InChIKey=ZSYQSVUIVIHVKI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(c(nc1C)N2CCC(CC2)NC(=O)OC(C)(C)C)C#N
【MOL File】
3-PYRIDINECARBOXYLIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PYRIDINECARBOXYLIC ACID, 5-CYANO-6-[4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-PIPERIDINYL]-2-METHYL-, ETHYL ESTER.cml