4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide

C96H144N24O6 — CID 160580956

About 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide

4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide (PubChem CID 160580956) has the molecular formula C96H144N24O6 and a molecular weight of 1730.37 g/mol. Its IUPAC name is 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide
• PubChem CID: 160580956
• Molecular Formula: C96H144N24O6
• Molecular Weight: 1730.37 g/mol
• Exact Mass: 1729.17
• IUPAC Name: 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide
• SMILES: CNC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)cc1.CNC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)nc1.CNC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)cc1.CNC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)nc1.CNC(=O)c1cnc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)nc1.CNC(=O)c1cnc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)nc1
• InChI: InChI=1S/2C17H25N3O.2C16H24N4O.2C15H23N5O/c2*1-17(2,3)20-11-14-9-15(20)10-19(14)13-7-5-12(6-8-13)16(21)18-4;2*1-16(2,3)20-10-12-7-13(20)9-19(12)14-6-5-11(8-18-14)15(21)17-4;2*1-15(2,3)20-9-11-5-12(20)8-19(11)14-17-6-10(7-18-14)13(21)16-4/h2*5-8,14-15H,9-11H2,1-4H3,(H,18,21);2*5-6,8,12-13H,7,9-10H2,1-4H3,(H,17,21);2*6-7,11-12H,5,8-9H2,1-4H3,(H,16,21)/t2*14-,15-;2*12-,13-;2*11-,12-/m101010/s1
• InChIKey: RBTVBXDGEZYUPE-GCUUJBQJSA-N
• XLogP: 9.02
• TPSA: 290.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1730.37
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide?

The IUPAC name of 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide (CID 160580956) is 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide.

What is the SMILES notation for 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide?

The canonical SMILES for 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide is CNC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)cc1.CNC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)nc1.CNC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)cc1.CNC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)nc1.CNC(=O)c1cnc(N2C[C@@H]3C[C@H]2CN3C(C)(C)C)nc1.CNC(=O)c1cnc(N2C[C@H]3C[C@@H]2CN3C(C)(C)C)nc1.

What is the InChIKey of 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide?

The InChIKey is RBTVBXDGEZYUPE-GCUUJBQJSA-N. The full InChI is InChI=1S/2C17H25N3O.2C16H24N4O.2C15H23N5O/c2*1-17(2,3)20-11-14-9-15(20)10-19(14)13-7-5-12(6-8-13)16(21)18-4;2*1-16(2,3)20-10-12-7-13(20)9-19(12)14-6-5-11(8-18-14)15(21)17-4;2*1-15(2,3)20-9-11-5-12(20)8-19(11)14-17-6-10(7-18-14)13(21)16-4/h2*5-8,14-15H,9-11H2,1-4H3,(H,18,21);2*5-6,8,12-13H,7,9-10H2,1-4H3,(H,17,21);2*6-7,11-12H,5,8-9H2,1-4H3,(H,16,21)/t2*14-,15-;2*12-,13-;2*11-,12-/m101010/s1.

What are the key properties of 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide?

4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide has a molecular weight of 1730.37 g/mol, XLogP of 9.02, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;4-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylbenzamide;6-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;6-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyridine-3-carboxamide;2-[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide;2-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 160580956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).