6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

C25H32N4O3 — CID 136645703

About 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde

6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 136645703) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
• PubChem CID: 136645703
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde
• SMILES: CCc1c(-c2ccc3c(c2)cc(CN2CCCC(N(C)C)C2)n3C)[nH]c(=O)c(C=O)c1O
• InChI: InChI=1S/C25H32N4O3/c1-5-20-23(26-25(32)21(15-30)24(20)31)16-8-9-22-17(11-16)12-19(28(22)4)14-29-10-6-7-18(13-29)27(2)3/h8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3,(H2,26,31,32)
• InChIKey: DLCOKYOOLFXIGI-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 81.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?

The IUPAC name of 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde (CID 136645703) is 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde.

What is the SMILES notation for 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?

The canonical SMILES for 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is CCc1c(-c2ccc3c(c2)cc(CN2CCCC(N(C)C)C2)n3C)[nH]c(=O)c(C=O)c1O.

What is the InChIKey of 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?

The InChIKey is DLCOKYOOLFXIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-20-23(26-25(32)21(15-30)24(20)31)16-8-9-22-17(11-16)12-19(28(22)4)14-29-10-6-7-18(13-29)27(2)3/h8-9,11-12,15,18H,5-7,10,13-14H2,1-4H3,(H2,26,31,32).

What are the key properties of 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde?

6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 436.56 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[3-(dimethylamino)piperidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 136645703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).