3-[5-methyl-2-oxidanylidene-4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]propanoic acid

Systemtic Name: 3-[5-methyl-2-oxidanylidene-4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]propanoic acid Openeye Name: 3-[5-methyl-2-oxo-4-[4-[(2-pyridylamino)methyl]-1-piperidyl]pyrimidin-1-yl]propanoic acid CAS Name: 3-[5-methyl-2-oxo-4-[4-[(2-pyridinylamino)methyl]-1-piperidinyl]-1-pyrimidinyl]propanoic acid IUPAC Name: 3-[5-methyl-2-oxo-4-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-1-yl]propanoic acid Traditional Name: 3-[2-keto-5-methyl-4-[4-[(2-pyridylamino)methyl]piperidino]pyrimidin-1-yl]propionic acid Formula: C19H25N5O3 MolecularWeight: 371.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=CC=CC=N3)CCC(=O)O

Isomeric SMILES

CC1=CN(C(=O)N=C1N2CCC(CC2)CNC3=CC=CC=N3)CCC(=O)O

InChI

InChI=1S/C19H25N5O3/c1-14-13-24(11-7-17(25)26)19(27)22-18(14)23-9-5-15(6-10-23)12-21-16-4-2-3-8-20-16/h2-4,8,13,15H,5-7,9-12H2,1H3,(H,20,21)(H,25,26)