1-[6-(6-fluoranylpyridin-3-yl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea; methanoic acid

Systemtic Name: 1-[6-(6-fluoranylpyridin-3-yl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea; methanoic acid Openeye Name: 1-[6-(6-fluoro-3-pyridyl)-3-pyridyl]-3-[4-(1-piperidyl)butyl]urea; formic acid CAS Name: 1-[6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-3-[4-(1-piperidinyl)butyl]urea; formic acid IUPAC Name: 1-[6-(6-fluoropyridin-3-yl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl)urea; formic acid Traditional Name: 1-[6-(6-fluoro-3-pyridyl)-3-pyridyl]-3-(4-piperidinobutyl)urea; formic acid Formula: C21H28FN5O3 MolecularWeight: 417.477123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCNC(=O)NC2=CN=C(C=C2)C3=CN=C(C=C3)F.C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCCNC(=O)NC2=CN=C(C=C2)C3=CN=C(C=C3)F.C(=O)O

InChI

InChI=1S/C20H26FN5O.CH2O2/c21-19-9-6-16(14-24-19)18-8-7-17(15-23-18)25-20(27)22-10-2-5-13-26-11-3-1-4-12-26;2-1-3/h6-9,14-15H,1-5,10-13H2,(H2,22,25,27);1H,(H,2,3)