6-methyl-N-[3-[(3-pyrimidin-2-ylphenyl)carbonylamino]-1-adamantyl]pyridine-2-carboxamide

Systemtic Name: 6-methyl-N-[3-[(3-pyrimidin-2-ylphenyl)carbonylamino]-1-adamantyl]pyridine-2-carboxamide Openeye Name: 6-methyl-N-[3-[(3-pyrimidin-2-ylbenzoyl)amino]-1-adamantyl]pyridine-2-carboxamide CAS Name: 6-methyl-N-[3-[[oxo-[3-(2-pyrimidinyl)phenyl]methyl]amino]-1-adamantyl]-2-pyridinecarboxamide IUPAC Name: 6-methyl-N-[3-[(3-pyrimidin-2-ylbenzoyl)amino]-1-adamantyl]pyridine-2-carboxamide Traditional Name: 6-methyl-N-[3-[[3-(2-pyrimidyl)benzoyl]amino]-1-adamantyl]picolinamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC=CC(=C5)C6=NC=CC=N6

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)NC23CC4CC(C2)CC(C4)(C3)NC(=O)C5=CC=CC(=C5)C6=NC=CC=N6

InChI

InChI=1S/C28H29N5O2/c1-18-5-2-8-23(31-18)26(35)33-28-15-19-11-20(16-28)14-27(13-19,17-28)32-25(34)22-7-3-6-21(12-22)24-29-9-4-10-30-24/h2-10,12,19-20H,11,13-17H2,1H3,(H,32,34)(H,33,35)