[2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate

C28H27N3O6 — CID 3261803

About [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate

[2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate (PubChem CID 3261803) has the molecular formula C28H27N3O6 and a molecular weight of 501.54 g/mol. Its IUPAC name is [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate.

Molecular Properties

• Compound Name: [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
• PubChem CID: 3261803
• Molecular Formula: C28H27N3O6
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.19
• IUPAC Name: [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
• SMILES: COc1ccc(OC)c(/N=c2\oc3c(C)ncc(COC(C)=O)c3cc2C(=O)Nc2ccc(C)cc2)c1
• InChI: InChI=1S/C28H27N3O6/c1-16-6-8-20(9-7-16)30-27(33)23-13-22-19(15-36-18(3)32)14-29-17(2)26(22)37-28(23)31-24-12-21(34-4)10-11-25(24)35-5/h6-14H,15H2,1-5H3,(H,30,33)/b31-28-
• InChIKey: CKPDMYFHWQHLEG-PNOGMODKSA-N
• XLogP: 5.01
• TPSA: 112.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate?

The IUPAC name of [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate (CID 3261803) is [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate.

What is the SMILES notation for [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate?

The canonical SMILES for [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate is COc1ccc(OC)c(/N=c2\oc3c(C)ncc(COC(C)=O)c3cc2C(=O)Nc2ccc(C)cc2)c1.

What is the InChIKey of [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate?

The InChIKey is CKPDMYFHWQHLEG-PNOGMODKSA-N. The full InChI is InChI=1S/C28H27N3O6/c1-16-6-8-20(9-7-16)30-27(33)23-13-22-19(15-36-18(3)32)14-29-17(2)26(22)37-28(23)31-24-12-21(34-4)10-11-25(24)35-5/h6-14H,15H2,1-5H3,(H,30,33)/b31-28-.

What are the key properties of [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate?

[2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate has a molecular weight of 501.54 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,5-dimethoxyphenyl)imino-8-methyl-3-[(4-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate is sourced from PubChem (CID 3261803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).