N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethyl]pyridine-3-carboxamide Openeye Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]ethyl]pyridine-3-carboxamide CAS Name: N-[2-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-cyclohexyl-2-piperidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexylpiperidin-2-yl]ethyl]pyridine-3-carboxamide Traditional Name: N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]ethyl]nicotinamide Formula: C29H43N7O MolecularWeight: 505.69802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3CCNC(=O)C4=CN=CC=C4)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3CCNC(=O)C4=CN=CC=C4)C5CCCCC5

InChI

InChI=1S/C29H43N7O/c37-28(23-10-8-16-30-22-23)31-17-14-26-25(13-9-21-36(26)24-11-4-3-5-12-24)33-29-32-18-15-27(34-29)35-19-6-1-2-7-20-35/h8,10,15-16,18,22,24-26H,1-7,9,11-14,17,19-21H2,(H,31,37)(H,32,33,34)