4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide

C28H27N7O3 — CID 75614901

About 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide

4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 75614901) has the molecular formula C28H27N7O3 and a molecular weight of 509.57 g/mol. Its IUPAC name is 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide
• PubChem CID: 75614901
• Molecular Formula: C28H27N7O3
• Molecular Weight: 509.57 g/mol
• Exact Mass: 509.22
• IUPAC Name: 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(-c3noc(C4CCCN4Cc4nc5ccccc5n4C)n3)cn2)cc1
• InChI: InChI=1S/C28H27N7O3/c1-34-22-7-4-3-6-21(22)30-25(34)17-35-15-5-8-23(35)28-32-26(33-38-28)19-11-14-24(29-16-19)31-27(36)18-9-12-20(37-2)13-10-18/h3-4,6-7,9-14,16,23H,5,8,15,17H2,1-2H3,(H,29,31,36)
• InChIKey: DJZLRQNCQCKBPN-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 111.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.57
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide?

The IUPAC name of 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide (CID 75614901) is 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3noc(C4CCCN4Cc4nc5ccccc5n4C)n3)cn2)cc1.

What is the InChIKey of 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide?

The InChIKey is DJZLRQNCQCKBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3/c1-34-22-7-4-3-6-21(22)30-25(34)17-35-15-5-8-23(35)28-32-26(33-38-28)19-11-14-24(29-16-19)31-27(36)18-9-12-20(37-2)13-10-18/h3-4,6-7,9-14,16,23H,5,8,15,17H2,1-2H3,(H,29,31,36).

What are the key properties of 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide?

4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 509.57 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[5-[5-[1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 75614901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).