1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C24H30N6O3 — CID 110152840

About 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 110152840) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• PubChem CID: 110152840
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
• SMILES: Cc1nccn1-c1cccc(C2CCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1
• InChI: InChI=1S/C24H30N6O3/c1-17-25-13-15-28(17)20-10-6-8-18(26-20)19-9-7-14-29(19)21(31)16-30-22(32)24(27(2)23(30)33)11-4-3-5-12-24/h6,8,10,13,15,19H,3-5,7,9,11-12,14,16H2,1-2H3
• InChIKey: VXSIJADQJADVJQ-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 91.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 110152840) is 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1nccn1-c1cccc(C2CCCN2C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1.

What is the InChIKey of 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

The InChIKey is VXSIJADQJADVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-17-25-13-15-28(17)20-10-6-8-18(26-20)19-9-7-14-29(19)21(31)16-30-22(32)24(27(2)23(30)33)11-4-3-5-12-24/h6,8,10,13,15,19H,3-5,7,9,11-12,14,16H2,1-2H3.

What are the key properties of 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?

1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 450.54 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[2-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110152840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).