N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C23H28FN5O — CID 53126789

About N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 53126789) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• PubChem CID: 53126789
• Molecular Formula: C23H28FN5O
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.23
• IUPAC Name: N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
• SMILES: CC(CCNc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1)N1CCCCCC1
• InChI: InChI=1S/C23H28FN5O/c1-17(29-13-4-2-3-5-14-29)11-12-25-21-10-9-19(16-26-21)23-27-22(28-30-23)18-7-6-8-20(24)15-18/h6-10,15-17H,2-5,11-14H2,1H3,(H,25,26)
• InChIKey: ZUZUJSQWBBRMSO-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 67.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?

The IUPAC name of N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 53126789) is N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

What is the SMILES notation for N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?

The canonical SMILES for N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CC(CCNc1ccc(-c2nc(-c3cccc(F)c3)no2)cn1)N1CCCCCC1.

What is the InChIKey of N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?

The InChIKey is ZUZUJSQWBBRMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-17(29-13-4-2-3-5-14-29)11-12-25-21-10-9-19(16-26-21)23-27-22(28-30-23)18-7-6-8-20(24)15-18/h6-10,15-17H,2-5,11-14H2,1H3,(H,25,26).

What are the key properties of N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?

N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 409.51 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(azepan-1-yl)butyl]-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 53126789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).