6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid

C30H41N5O4 — CID 135345691

About 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid

6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid (PubChem CID 135345691) has the molecular formula C30H41N5O4 and a molecular weight of 535.69 g/mol. Its IUPAC name is 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid
• PubChem CID: 135345691
• Molecular Formula: C30H41N5O4
• Molecular Weight: 535.69 g/mol
• Exact Mass: 535.32
• IUPAC Name: 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid
• SMILES: CN1CC(C(=O)O)=CC=C1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O
• InChI: InChI=1S/C30H41N5O4/c1-32(2)30(24-10-5-4-6-11-24)16-14-29(15-17-30)21-34(28(39)35(29)18-22-8-7-9-22)20-26(36)31-25-13-12-23(27(37)38)19-33(25)3/h4-6,10-13,22H,7-9,14-21H2,1-3H3,(H,31,36)(H,37,38)
• InChIKey: DRLFGMOCSUVLHI-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 96.43 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	535.69
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid?

The IUPAC name of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid (CID 135345691) is 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid is CN1CC(C(=O)O)=CC=C1NC(=O)CN1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC2CCC2)C1=O.

What is the InChIKey of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid?

The InChIKey is DRLFGMOCSUVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O4/c1-32(2)30(24-10-5-4-6-11-24)16-14-29(15-17-30)21-34(28(39)35(29)18-22-8-7-9-22)20-26(36)31-25-13-12-23(27(37)38)19-33(25)3/h4-6,10-13,22H,7-9,14-21H2,1-3H3,(H,31,36)(H,37,38).

What are the key properties of 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid?

6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid has a molecular weight of 535.69 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-1-methyl-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 135345691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).