5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C25H33N5O3 — CID 26396826

About 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26396826) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
• PubChem CID: 26396826
• Molecular Formula: C25H33N5O3
• Molecular Weight: 451.57 g/mol
• Exact Mass: 451.26
• IUPAC Name: 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
• SMILES: Cc1cccn2cc(CNC(=O)c3cn(CC(C)C)cc(C(=O)NCCC(C)C)c3=O)nc12
• InChI: InChI=1S/C25H33N5O3/c1-16(2)8-9-26-24(32)20-14-29(12-17(3)4)15-21(22(20)31)25(33)27-11-19-13-30-10-6-7-18(5)23(30)28-19/h6-7,10,13-17H,8-9,11-12H2,1-5H3,(H,26,32)(H,27,33)
• InChIKey: LOAIWISYFVPSEM-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 97.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.57
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?

The IUPAC name of 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 26396826) is 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

What is the SMILES notation for 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?

The canonical SMILES for 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is Cc1cccn2cc(CNC(=O)c3cn(CC(C)C)cc(C(=O)NCCC(C)C)c3=O)nc12.

What is the InChIKey of 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?

The InChIKey is LOAIWISYFVPSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16(2)8-9-26-24(32)20-14-29(12-17(3)4)15-21(22(20)31)25(33)27-11-19-13-30-10-6-7-18(5)23(30)28-19/h6-7,10,13-17H,8-9,11-12H2,1-5H3,(H,26,32)(H,27,33).

What are the key properties of 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?

5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(3-methylbutyl)-3-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26396826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).