2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide

C22H27N3O4 — CID 71708639

About 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide

2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 71708639) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 71708639
• Molecular Formula: C22H27N3O4
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.20
• IUPAC Name: 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide
• SMILES: CCCCc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1COC(C)(C)C2
• InChI: InChI=1S/C22H27N3O4/c1-4-5-8-19-18-13-29-22(2,3)10-16(18)17(11-23)21(25-19)28-14-20(26)24-12-15-7-6-9-27-15/h6-7,9H,4-5,8,10,12-14H2,1-3H3,(H,24,26)
• InChIKey: GHQHBHSFBMTPTA-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 97.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide (CID 71708639) is 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide is CCCCc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1COC(C)(C)C2.

What is the InChIKey of 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide?

The InChIKey is GHQHBHSFBMTPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-5-8-19-18-13-29-22(2,3)10-16(18)17(11-23)21(25-19)28-14-20(26)24-12-15-7-6-9-27-15/h6-7,9H,4-5,8,10,12-14H2,1-3H3,(H,24,26).

What are the key properties of 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide?

2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)oxy]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 71708639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).