(2R)-N-(2-azanylethyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofuran-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[(5-methyl-2-thiophenyl)methyl-(2-oxolanylmethyl)amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[(5-methylthiophen-2-yl)methyl-(oxolan-2-ylmethyl)amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-[(5-methyl-2-thienyl)methyl-(tetrahydrofurfuryl)amino]-1-nicotinoyl-pipecolinamide Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2CCCO2)C3CCN(C(C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)CN(CC2CCCO2)C3CCN([C@H](C3)C(=O)NCCN)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H35N5O3S/c1-18-6-7-22(34-18)17-29(16-21-5-3-13-33-21)20-8-12-30(23(14-20)24(31)28-11-9-26)25(32)19-4-2-10-27-15-19/h2,4,6-7,10,15,20-21,23H,3,5,8-9,11-14,16-17,26H2,1H3,(H,28,31)/t20?,21?,23-/m1/s1