1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide

C30H45N3O4 — CID 134218798

About 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide

1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 134218798) has the molecular formula C30H45N3O4 and a molecular weight of 511.71 g/mol. Its IUPAC name is 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide
• PubChem CID: 134218798
• Molecular Formula: C30H45N3O4
• Molecular Weight: 511.71 g/mol
• Exact Mass: 511.34
• IUPAC Name: 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide
• SMILES: CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)CCC3CCCCC3)CC23CCCC3)c(=O)cc1C1CC1
• InChI: InChI=1S/C30H45N3O4/c1-31(2)28(36)25-19-33(27(35)18-24(25)23-11-12-23)21-30(37)16-17-32(20-29(30)14-6-7-15-29)26(34)13-10-22-8-4-3-5-9-22/h18-19,22-23,37H,3-17,20-21H2,1-2H3/t30-/m1/s1
• InChIKey: BOVPLBLJTKKNQH-SSEXGKCCSA-N
• XLogP: 4.31
• TPSA: 82.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.71
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide (CID 134218798) is 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide is CN(C)C(=O)c1cn(C[C@]2(O)CCN(C(=O)CCC3CCCCC3)CC23CCCC3)c(=O)cc1C1CC1.

What is the InChIKey of 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is BOVPLBLJTKKNQH-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H45N3O4/c1-31(2)28(36)25-19-33(27(35)18-24(25)23-11-12-23)21-30(37)16-17-32(20-29(30)14-6-7-15-29)26(34)13-10-22-8-4-3-5-9-22/h18-19,22-23,37H,3-17,20-21H2,1-2H3/t30-/m1/s1.

What are the key properties of 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide?

1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 511.71 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 134218798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).