1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C24H28N4O4 — CID 56567035

About 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 56567035) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 56567035
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCN(C(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)CC2)nc1
• InChI: InChI=1S/C24H28N4O4/c1-14-4-5-20(25-13-14)27-21(30)15-6-8-28(9-7-15)23(32)17-10-16-18(26-22(17)31)11-24(2,3)12-19(16)29/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,26,31)(H,25,27,30)
• InChIKey: HRCRYSWRQZQIDI-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 112.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

The IUPAC name of 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 56567035) is 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

The canonical SMILES for 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3cc4c([nH]c3=O)CC(C)(C)CC4=O)CC2)nc1.

What is the InChIKey of 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

The InChIKey is HRCRYSWRQZQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-14-4-5-20(25-13-14)27-21(30)15-6-8-28(9-7-15)23(32)17-10-16-18(26-22(17)31)11-24(2,3)12-19(16)29/h4-5,10,13,15H,6-9,11-12H2,1-3H3,(H,26,31)(H,25,27,30).

What are the key properties of 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 56567035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).