(2S)-2-azanyl-N-(4-fluoranyl-2-methyl-phenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3-pyridin-3-yl-propanamide

Systemtic Name: (2S)-2-azanyl-N-(4-fluoranyl-2-methyl-phenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3-pyridin-3-yl-propanamide Openeye Name: (2S)-2-amino-N-(4-fluoro-2-methyl-phenyl)-N-[[2-(1-piperidyl)pyrimidin-5-yl]methyl]-3-(3-pyridyl)propanamide CAS Name: (2S)-2-amino-N-(4-fluoro-2-methylphenyl)-N-[[2-(1-piperidinyl)-5-pyrimidinyl]methyl]-3-(3-pyridinyl)propanamide IUPAC Name: (2S)-2-amino-N-(4-fluoro-2-methylphenyl)-N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3-pyridin-3-ylpropanamide Traditional Name: (2S)-2-amino-N-(4-fluoro-2-methyl-phenyl)-N-[(2-piperidinopyrimidin-5-yl)methyl]-3-(3-pyridyl)propionamide Formula: C25H29FN6O MolecularWeight: 448.535763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)N(CC2=CN=C(N=C2)N3CCCCC3)C(=O)C(CC4=CN=CC=C4)N

Isomeric SMILES

CC1=C(C=CC(=C1)F)N(CC2=CN=C(N=C2)N3CCCCC3)C(=O)[C@H](CC4=CN=CC=C4)N

InChI

InChI=1S/C25H29FN6O/c1-18-12-21(26)7-8-23(18)32(24(33)22(27)13-19-6-5-9-28-14-19)17-20-15-29-25(30-16-20)31-10-3-2-4-11-31/h5-9,12,14-16,22H,2-4,10-11,13,17,27H2,1H3/t22-/m0/s1