1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C28H33N5O4 — CID 139347283

About 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 139347283) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
• PubChem CID: 139347283
• Molecular Formula: C28H33N5O4
• Molecular Weight: 503.60 g/mol
• Exact Mass: 503.25
• IUPAC Name: 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3ccn[nH]3)CC23CCCC3)c(=O)cc1-c1ccccc1
• InChI: InChI=1S/C28H33N5O4/c1-31(2)25(35)22-17-33(24(34)16-21(22)20-8-4-3-5-9-20)19-28(37)13-15-32(18-27(28)11-6-7-12-27)26(36)23-10-14-29-30-23/h3-5,8-10,14,16-17,37H,6-7,11-13,15,18-19H2,1-2H3,(H,29,30)
• InChIKey: LJCXRLFRKVRYFB-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 111.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.60
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The IUPAC name of 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 139347283) is 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

What is the SMILES notation for 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The canonical SMILES for 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3ccn[nH]3)CC23CCCC3)c(=O)cc1-c1ccccc1.

What is the InChIKey of 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

The InChIKey is LJCXRLFRKVRYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4/c1-31(2)25(35)22-17-33(24(34)16-21(22)20-8-4-3-5-9-20)19-28(37)13-15-32(18-27(28)11-6-7-12-27)26(36)23-10-14-29-30-23/h3-5,8-10,14,16-17,37H,6-7,11-13,15,18-19H2,1-2H3,(H,29,30).

What are the key properties of 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?

1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[10-hydroxy-7-(1H-pyrazole-5-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 139347283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).