N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C28H35N7O2 — CID 130200474

About N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 130200474) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 130200474
• Molecular Formula: C28H35N7O2
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.29
• IUPAC Name: N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cnc(C#N)nc1)C(=O)N2CC1CCC1
• InChI: InChI=1S/C28H35N7O2/c1-33(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)20-34(26(37)35(27)18-21-7-6-8-21)19-25(36)32-23-16-30-24(15-29)31-17-23/h3-5,9-10,16-17,21H,6-8,11-14,18-20H2,1-2H3,(H,32,36)
• InChIKey: AWYQASHEYOOKME-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 105.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 130200474) is N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cnc(C#N)nc1)C(=O)N2CC1CCC1.

What is the InChIKey of N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is AWYQASHEYOOKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-33(2)28(22-9-4-3-5-10-22)13-11-27(12-14-28)20-34(26(37)35(27)18-21-7-6-8-21)19-25(36)32-23-16-30-24(15-29)31-17-23/h3-5,9-10,16-17,21H,6-8,11-14,18-20H2,1-2H3,(H,32,36).

What are the key properties of N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 501.64 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 130200474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).