methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate

C30H39N5O4 — CID 130200477

About methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate

methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate (PubChem CID 130200477) has the molecular formula C30H39N5O4 and a molecular weight of 533.67 g/mol. Its IUPAC name is methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate
• PubChem CID: 130200477
• Molecular Formula: C30H39N5O4
• Molecular Weight: 533.67 g/mol
• Exact Mass: 533.30
• IUPAC Name: methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate
• SMILES: COC(=O)c1ccnc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1
• InChI: InChI=1S/C30H39N5O4/c1-33(2)30(24-10-5-4-6-11-24)15-13-29(14-16-30)21-34(28(38)35(29)19-22-8-7-9-22)20-26(36)32-25-18-23(12-17-31-25)27(37)39-3/h4-6,10-12,17-18,22H,7-9,13-16,19-21H2,1-3H3,(H,31,32,36)
• InChIKey: DWYWBVXRNOVSBJ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 95.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.67
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate (CID 130200477) is methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate.

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

The canonical SMILES for methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CCC3)C2=O)c1.

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

The InChIKey is DWYWBVXRNOVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O4/c1-33(2)30(24-10-5-4-6-11-24)15-13-29(14-16-30)21-34(28(38)35(29)19-22-8-7-9-22)20-26(36)32-25-18-23(12-17-31-25)27(37)39-3/h4-6,10-12,17-18,22H,7-9,13-16,19-21H2,1-3H3,(H,31,32,36).

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

methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate has a molecular weight of 533.67 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 130200477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).