3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid

C24H34N4O7 — CID 56698837

About 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid

3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid (PubChem CID 56698837) has the molecular formula C24H34N4O7 and a molecular weight of 490.56 g/mol. Its IUPAC name is 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid.

Molecular Properties

• Compound Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid
• PubChem CID: 56698837
• Molecular Formula: C24H34N4O7
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.24
• IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid
• SMILES: CC1(C)Cc2c(C#N)c(OCCN3CCCCC3)nc(N3CCOCC3)c2CO1.O=C(O)C(=O)O
• InChI: InChI=1S/C22H32N4O3.C2H2O4/c1-22(2)14-17-18(15-23)21(28-13-8-25-6-4-3-5-7-25)24-20(19(17)16-29-22)26-9-11-27-12-10-26;3-1(4)2(5)6/h3-14,16H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: BMXLVWRLEFHSCV-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 145.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid?

The IUPAC name of 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid (CID 56698837) is 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid.

What is the SMILES notation for 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid?

The canonical SMILES for 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid is CC1(C)Cc2c(C#N)c(OCCN3CCCCC3)nc(N3CCOCC3)c2CO1.O=C(O)C(=O)O.

What is the InChIKey of 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid?

The InChIKey is BMXLVWRLEFHSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3.C2H2O4/c1-22(2)14-17-18(15-23)21(28-13-8-25-6-4-3-5-7-25)24-20(19(17)16-29-22)26-9-11-27-12-10-26;3-1(4)2(5)6/h3-14,16H2,1-2H3;(H,3,4)(H,5,6).

What are the key properties of 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid?

3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid has a molecular weight of 490.56 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid is sourced from PubChem (CID 56698837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).