[6-butanoyl-2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-phenyl] 6-azanylpyridine-3-carboxylate

Systemtic Name: [6-butanoyl-2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-phenyl] 6-azanylpyridine-3-carboxylate Openeye Name: [6-butanoyl-2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] 6-aminopyridine-3-carboxylate CAS Name: 6-amino-3-pyridinecarboxylic acid [2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxobutyl)phenyl] ester IUPAC Name: [6-butanoyl-2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 6-aminopyridine-3-carboxylate Traditional Name: 6-aminonicotinic acid [6-butyryl-2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] ester Formula: C26H23FN6O4 MolecularWeight: 502.497023

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)OC(=O)C4=CN=C(C=C4)N

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)OC(=O)C4=CN=C(C=C4)N

InChI

InChI=1S/C26H23FN6O4/c1-2-3-20(34)16-6-7-18(27)23(24(16)37-25(35)15-5-8-21(29)30-13-15)17-10-19(17)32-26(36)33-22-9-4-14(11-28)12-31-22/h4-9,12-13,17,19H,2-3,10H2,1H3,(H2,29,30)(H2,31,32,33,36)