N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide

C28H31N5O6S — CID 70168777

About N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide

N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide (PubChem CID 70168777) has the molecular formula C28H31N5O6S and a molecular weight of 565.65 g/mol. Its IUPAC name is N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide
• PubChem CID: 70168777
• Molecular Formula: C28H31N5O6S
• Molecular Weight: 565.65 g/mol
• Exact Mass: 565.20
• IUPAC Name: N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide
• SMILES: CS(=O)(=O)C(O)(COc1ccccc1NC(=O)c1ccccn1)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1
• InChI: InChI=1S/C28H31N5O6S/c1-40(37,38)28(36,19-39-25-12-5-3-9-22(25)30-26(34)23-10-6-7-15-29-23)18-32-16-13-20(14-17-32)33-24-11-4-2-8-21(24)31-27(33)35/h2-12,15,20,36H,13-14,16-19H2,1H3,(H,30,34)(H,31,35)
• InChIKey: OMINRMYWLZOPBR-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 146.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.65
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide (CID 70168777) is N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide is CS(=O)(=O)C(O)(COc1ccccc1NC(=O)c1ccccn1)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.

What is the InChIKey of N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide?

The InChIKey is OMINRMYWLZOPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O6S/c1-40(37,38)28(36,19-39-25-12-5-3-9-22(25)30-26(34)23-10-6-7-15-29-23)18-32-16-13-20(14-17-32)33-24-11-4-2-8-21(24)31-27(33)35/h2-12,15,20,36H,13-14,16-19H2,1H3,(H,30,34)(H,31,35).

What are the key properties of N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide?

N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 565.65 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-hydroxy-2-methylsulfonyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 70168777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).