1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C32H43N3O4 — CID 134209839

About 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 134209839) has the molecular formula C32H43N3O4 and a molecular weight of 533.71 g/mol. Its IUPAC name is 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
• PubChem CID: 134209839
• Molecular Formula: C32H43N3O4
• Molecular Weight: 533.71 g/mol
• Exact Mass: 533.33
• IUPAC Name: 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
• SMILES: C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
• InChI: InChI=1S/C32H43N3O4/c1-23(18-24-10-9-11-24)29(37)34-17-16-32(39,31(21-34)14-7-8-15-31)22-35-20-27(30(38)33(2)3)26(19-28(35)36)25-12-5-4-6-13-25/h4-6,12-13,19-20,23-24,39H,7-11,14-18,21-22H2,1-3H3/t23-,32-/m1/s1
• InChIKey: IDKDBLILJKLZII-JIYROHSKSA-N
• XLogP: 4.57
• TPSA: 82.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.71
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 134209839) is 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

What is the SMILES notation for 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The canonical SMILES for 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1.

What is the InChIKey of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The InChIKey is IDKDBLILJKLZII-JIYROHSKSA-N. The full InChI is InChI=1S/C32H43N3O4/c1-23(18-24-10-9-11-24)29(37)34-17-16-32(39,31(21-34)14-7-8-15-31)22-35-20-27(30(38)33(2)3)26(19-28(35)36)25-12-5-4-6-13-25/h4-6,12-13,19-20,23-24,39H,7-11,14-18,21-22H2,1-3H3/t23-,32-/m1/s1.

What are the key properties of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 533.71 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134209839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).