1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C35H49N3O4 — CID 134211742

About 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 134211742) has the molecular formula C35H49N3O4 and a molecular weight of 575.79 g/mol. Its IUPAC name is 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
• PubChem CID: 134211742
• Molecular Formula: C35H49N3O4
• Molecular Weight: 575.79 g/mol
• Exact Mass: 575.37
• IUPAC Name: 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
• SMILES: C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCCC2)C1
• InChI: InChI=1S/C35H49N3O4/c1-26(21-27-13-7-4-8-14-27)32(40)37-20-19-35(42,34(24-37)17-11-6-12-18-34)25-38-23-30(33(41)36(2)3)29(22-31(38)39)28-15-9-5-10-16-28/h5,9-10,15-16,22-23,26-27,42H,4,6-8,11-14,17-21,24-25H2,1-3H3/t26-,35?/m1/s1
• InChIKey: ZMARSXVIDDWELK-NAVQMUAQSA-N
• XLogP: 5.74
• TPSA: 82.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.79
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The IUPAC name of 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 134211742) is 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

What is the SMILES notation for 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The canonical SMILES for 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCCC2)C1.

What is the InChIKey of 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The InChIKey is ZMARSXVIDDWELK-NAVQMUAQSA-N. The full InChI is InChI=1S/C35H49N3O4/c1-26(21-27-13-7-4-8-14-27)32(40)37-20-19-35(42,34(24-37)17-11-6-12-18-34)25-38-23-30(33(41)36(2)3)29(22-31(38)39)28-15-9-5-10-16-28/h5,9-10,15-16,22-23,26-27,42H,4,6-8,11-14,17-21,24-25H2,1-3H3/t26-,35?/m1/s1.

What are the key properties of 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 575.79 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134211742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).