5-[(3-fluoranyl-5-pyrrolidin-1-yl-phenyl)carbonylamino]-2-methyl-N-[6-(2-methylpropylamino)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 5-[(3-fluoranyl-5-pyrrolidin-1-yl-phenyl)carbonylamino]-2-methyl-N-[6-(2-methylpropylamino)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 5-[(3-fluoro-5-pyrrolidin-1-yl-benzoyl)amino]-N-[6-(isobutylamino)-3-pyridyl]-2-methyl-pyridine-3-carboxamide CAS Name: 5-[[[3-fluoro-5-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(2-methylpropylamino)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: 5-[(3-fluoro-5-pyrrolidino-benzoyl)amino]-N-[6-(isobutylamino)-3-pyridyl]-2-methyl-nicotinamide Formula: C27H31FN6O2 MolecularWeight: 490.572443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NC2=CN=C(C=C2)NCC(C)C)NC(=O)C3=CC(=CC(=C3)F)N4CCCC4

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NC2=CN=C(C=C2)NCC(C)C)NC(=O)C3=CC(=CC(=C3)F)N4CCCC4

InChI

InChI=1S/C27H31FN6O2/c1-17(2)14-30-25-7-6-21(15-31-25)32-27(36)24-13-22(16-29-18(24)3)33-26(35)19-10-20(28)12-23(11-19)34-8-4-5-9-34/h6-7,10-13,15-17H,4-5,8-9,14H2,1-3H3,(H,30,31)(H,32,36)(H,33,35)