10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide

C28H33N5O3 — CID 155682840

About 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide

10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 155682840) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

• Compound Name: 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide
• PubChem CID: 155682840
• Molecular Formula: C28H33N5O3
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.26
• IUPAC Name: 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide
• SMILES: CN(Cc1cccnc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
• InChI: InChI=1S/C28H33N5O3/c1-31(18-22-8-7-14-29-17-22)26(35)32-15-13-28(36,27(19-32)11-5-6-12-27)20-33-21-30-24(16-25(33)34)23-9-3-2-4-10-23/h2-4,7-10,14,16-17,21,36H,5-6,11-13,15,18-20H2,1H3
• InChIKey: PVLRVNSTLFGKLD-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?

The IUPAC name of 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide (CID 155682840) is 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide.

What is the SMILES notation for 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?

The canonical SMILES for 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide is CN(Cc1cccnc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1.

What is the InChIKey of 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?

The InChIKey is PVLRVNSTLFGKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-31(18-22-8-7-14-29-17-22)26(35)32-15-13-28(36,27(19-32)11-5-6-12-27)20-33-21-30-24(16-25(33)34)23-9-3-2-4-10-23/h2-4,7-10,14,16-17,21,36H,5-6,11-13,15,18-20H2,1H3.

What are the key properties of 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide?

10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 155682840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).