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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-pyridin-3-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(5-methyl-2-thienyl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(5-methyl-2-thiophenyl)methyl]amino]-1-[oxo(3-pyridinyl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[cyclopropyl-[(5-methyl-2-thienyl)methyl]amino]-1-nicotinoyl-pipecolinamide Formula: C27H37N5O2S MolecularWeight: 495.67998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(C2CC2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(S1)CN(C2CC2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H37N5O2S/c1-18-4-11-24(35-18)17-32(22-9-10-22)23-12-14-31(27(34)19-3-2-13-29-16-19)25(15-23)26(33)30-21-7-5-20(28)6-8-21/h2-4,11,13,16,20-23,25H,5-10,12,14-15,17,28H2,1H3,(H,30,33)/t20?,21?,23?,25-/m1/s1