[3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate

C28H27N3O5 — CID 3403043

About [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate

[3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate (PubChem CID 3403043) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate.

Molecular Properties

• Compound Name: [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate
• PubChem CID: 3403043
• Molecular Formula: C28H27N3O5
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.20
• IUPAC Name: [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate
• SMILES: COc1ccc(C)cc1NC(=O)c1cc2c(COC(C)=O)cnc(C)c2o/c1=N\c1ccc(C)cc1
• InChI: InChI=1S/C28H27N3O5/c1-16-6-9-21(10-7-16)30-28-23(27(33)31-24-12-17(2)8-11-25(24)34-5)13-22-20(15-35-19(4)32)14-29-18(3)26(22)36-28/h6-14H,15H2,1-5H3,(H,31,33)/b30-28-
• InChIKey: NZUHSJFRUIPAGD-HYOGKJQXSA-N
• XLogP: 5.31
• TPSA: 103.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate (CID 3403043) is [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate.

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

The canonical SMILES for [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate is COc1ccc(C)cc1NC(=O)c1cc2c(COC(C)=O)cnc(C)c2o/c1=N\c1ccc(C)cc1.

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

The InChIKey is NZUHSJFRUIPAGD-HYOGKJQXSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-16-6-9-21(10-7-16)30-28-23(27(33)31-24-12-17(2)8-11-25(24)34-5)13-22-20(15-35-19(4)32)14-29-18(3)26(22)36-28/h6-14H,15H2,1-5H3,(H,31,33)/b30-28-.

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

[3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate has a molecular weight of 485.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate is sourced from PubChem (CID 3403043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).