6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile

C24H26FN5O — CID 156724148

About 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile

6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile (PubChem CID 156724148) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
• PubChem CID: 156724148
• Molecular Formula: C24H26FN5O
• Molecular Weight: 419.50 g/mol
• Exact Mass: 419.21
• IUPAC Name: 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile
• SMILES: C[C@@H]1CC2CN(C(=O)CNC3(c4ccc(F)cc4)CC3)CC1N2c1ccc(C#N)cn1
• InChI: InChI=1S/C24H26FN5O/c1-16-10-20-14-29(15-21(16)30(20)22-7-2-17(11-26)12-27-22)23(31)13-28-24(8-9-24)18-3-5-19(25)6-4-18/h2-7,12,16,20-21,28H,8-10,13-15H2,1H3/t16-,20?,21?/m1/s1
• InChIKey: GWPIBVAYIABLMX-YMTQGWHGSA-N
• XLogP: 2.80
• TPSA: 72.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.50
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

The IUPAC name of 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile (CID 156724148) is 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile is C[C@@H]1CC2CN(C(=O)CNC3(c4ccc(F)cc4)CC3)CC1N2c1ccc(C#N)cn1.

What is the InChIKey of 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

The InChIKey is GWPIBVAYIABLMX-YMTQGWHGSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-16-10-20-14-29(15-21(16)30(20)22-7-2-17(11-26)12-27-22)23(31)13-28-24(8-9-24)18-3-5-19(25)6-4-18/h2-7,12,16,20-21,28H,8-10,13-15H2,1H3/t16-,20?,21?/m1/s1.

What are the key properties of 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile?

6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile has a molecular weight of 419.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6R)-3-[2-[[1-(4-fluorophenyl)cyclopropyl]amino]acetyl]-6-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 156724148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).