4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide

C30H40N6O3 — CID 140797750

About 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide

4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 140797750) has the molecular formula C30H40N6O3 and a molecular weight of 532.69 g/mol. Its IUPAC name is 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide
• PubChem CID: 140797750
• Molecular Formula: C30H40N6O3
• Molecular Weight: 532.69 g/mol
• Exact Mass: 532.32
• IUPAC Name: 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cnccc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
• InChI: InChI=1S/C30H40N6O3/c1-31-27(38)24-18-32-17-12-25(24)33-26(37)20-35-21-29(36(28(35)39)19-22-8-7-9-22)13-15-30(16-14-29,34(2)3)23-10-5-4-6-11-23/h4-6,10-12,17-18,22H,7-9,13-16,19-21H2,1-3H3,(H,31,38)(H,32,33,37)
• InChIKey: LYLBCGHNNJYODB-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 97.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.69
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide?

The IUPAC name of 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide (CID 140797750) is 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnccc1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.

What is the InChIKey of 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide?

The InChIKey is LYLBCGHNNJYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O3/c1-31-27(38)24-18-32-17-12-25(24)33-26(37)20-35-21-29(36(28(35)39)19-22-8-7-9-22)13-15-30(16-14-29,34(2)3)23-10-5-4-6-11-23/h4-6,10-12,17-18,22H,7-9,13-16,19-21H2,1-3H3,(H,31,38)(H,32,33,37).

What are the key properties of 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide?

4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 140797750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).