[2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid

C36H50N4O6 — CID 134209828

About [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid

[2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid (PubChem CID 134209828) has the molecular formula C36H50N4O6 and a molecular weight of 634.82 g/mol. Its IUPAC name is [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid.

Molecular Properties

• Compound Name: [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid
• PubChem CID: 134209828
• Molecular Formula: C36H50N4O6
• Molecular Weight: 634.82 g/mol
• Exact Mass: 634.37
• IUPAC Name: [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid
• SMILES: CC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3CNC(=O)O)cc2=O)C2(CCCC2)C1
• InChI: InChI=1S/C36H50N4O6/c1-25(19-26-11-5-4-6-12-26)32(42)39-18-17-36(46,35(23-39)15-9-10-16-35)24-40-22-30(33(43)38(2)3)29(20-31(40)41)28-14-8-7-13-27(28)21-37-34(44)45/h7-8,13-14,20,22,25-26,37,46H,4-6,9-12,15-19,21,23-24H2,1-3H3,(H,44,45)
• InChIKey: YRHNSWGDMRKZII-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 132.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.82
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid?

The IUPAC name of [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid (CID 134209828) is [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid.

What is the SMILES notation for [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid?

The canonical SMILES for [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid is CC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3CNC(=O)O)cc2=O)C2(CCCC2)C1.

What is the InChIKey of [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid?

The InChIKey is YRHNSWGDMRKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50N4O6/c1-25(19-26-11-5-4-6-12-26)32(42)39-18-17-36(46,35(23-39)15-9-10-16-35)24-40-22-30(33(43)38(2)3)29(20-31(40)41)28-14-8-7-13-27(28)21-37-34(44)45/h7-8,13-14,20,22,25-26,37,46H,4-6,9-12,15-19,21,23-24H2,1-3H3,(H,44,45).

What are the key properties of [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid?

[2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid has a molecular weight of 634.82 g/mol, XLogP of 5.11, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid is sourced from PubChem (CID 134209828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).