N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide

C25H29N7O4S — CID 71116169

About N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide

N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (PubChem CID 71116169) has the molecular formula C25H29N7O4S and a molecular weight of 523.62 g/mol. Its IUPAC name is N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
• PubChem CID: 71116169
• Molecular Formula: C25H29N7O4S
• Molecular Weight: 523.62 g/mol
• Exact Mass: 523.20
• IUPAC Name: N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide
• SMILES: COc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1NS(=O)(=O)c1cccnc1
• InChI: InChI=1S/C25H29N7O4S/c1-35-24-22(30-37(33,34)20-4-2-7-27-17-20)14-19(16-28-24)18-5-6-21-23(15-18)32(25(26)29-21)9-3-8-31-10-12-36-13-11-31/h2,4-7,14-17,30H,3,8-13H2,1H3,(H2,26,29)
• InChIKey: SCJADJMFGZSJLY-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 137.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.62
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?

The IUPAC name of N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide (CID 71116169) is N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide.

What is the SMILES notation for N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?

The canonical SMILES for N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide is COc1ncc(-c2ccc3nc(N)n(CCCN4CCOCC4)c3c2)cc1NS(=O)(=O)c1cccnc1.

What is the InChIKey of N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?

The InChIKey is SCJADJMFGZSJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O4S/c1-35-24-22(30-37(33,34)20-4-2-7-27-17-20)14-19(16-28-24)18-5-6-21-23(15-18)32(25(26)29-21)9-3-8-31-10-12-36-13-11-31/h2,4-7,14-17,30H,3,8-13H2,1H3,(H2,26,29).

What are the key properties of N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide?

N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide has a molecular weight of 523.62 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-amino-3-(3-morpholin-4-ylpropyl)benzimidazol-5-yl]-2-methoxy-3-pyridinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71116169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).