1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C31H50N4O5S — CID 91271084

About 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 91271084) has the molecular formula C31H50N4O5S and a molecular weight of 590.83 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
• PubChem CID: 91271084
• Molecular Formula: C31H50N4O5S
• Molecular Weight: 590.83 g/mol
• Exact Mass: 590.35
• IUPAC Name: 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
• SMILES: CC(C)S(=O)(=O)NC1CCN(C(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)CC1
• InChI: InChI=1S/C31H50N4O5S/c1-22(2)41(39,40)33-25-16-18-34(19-17-25)30(38)31(3,4)32-28(36)26-20-24-14-10-5-6-11-15-27(24)35(29(26)37)21-23-12-8-7-9-13-23/h20,22-23,25,33H,5-19,21H2,1-4H3,(H,32,36)
• InChIKey: KHDWLBJSJUAGSF-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 117.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.83
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

The IUPAC name of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 91271084) is 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

What is the SMILES notation for 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

The canonical SMILES for 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)C(C)(C)NC(=O)c2cc3c(n(CC4CCCCC4)c2=O)CCCCCC3)CC1.

What is the InChIKey of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

The InChIKey is KHDWLBJSJUAGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50N4O5S/c1-22(2)41(39,40)33-25-16-18-34(19-17-25)30(38)31(3,4)32-28(36)26-20-24-14-10-5-6-11-15-27(24)35(29(26)37)21-23-12-8-7-9-13-23/h20,22-23,25,33H,5-19,21H2,1-4H3,(H,32,36).

What are the key properties of 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?

1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 590.83 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethyl)-N-[2-methyl-1-oxo-1-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 91271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).