6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide

C26H34N4O5S — CID 24962519

About 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide

6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide (PubChem CID 24962519) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide
• PubChem CID: 24962519
• Molecular Formula: C26H34N4O5S
• Molecular Weight: 514.65 g/mol
• Exact Mass: 514.22
• IUPAC Name: 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide
• SMILES: Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CCCCC1)C(=O)Nc1ccc(C(N)=O)cn1
• InChI: InChI=1S/C26H34N4O5S/c1-17-13-21(36(34,35)20-9-5-6-10-20)15-24(31)30(17)22(14-18-7-3-2-4-8-18)26(33)29-23-12-11-19(16-28-23)25(27)32/h11-13,15-16,18,20,22H,2-10,14H2,1H3,(H2,27,32)(H,28,29,33)
• InChIKey: OGMGKAFCKQWARD-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 141.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.65
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide (CID 24962519) is 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide is Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1C(CC1CCCCC1)C(=O)Nc1ccc(C(N)=O)cn1.

What is the InChIKey of 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide?

The InChIKey is OGMGKAFCKQWARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c1-17-13-21(36(34,35)20-9-5-6-10-20)15-24(31)30(17)22(14-18-7-3-2-4-8-18)26(33)29-23-12-11-19(16-28-23)25(27)32/h11-13,15-16,18,20,22H,2-10,14H2,1H3,(H2,27,32)(H,28,29,33).

What are the key properties of 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide?

6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide has a molecular weight of 514.65 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 24962519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).