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

C26H22ClN3O4 — CID 4608915

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

[2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate (PubChem CID 4608915) has the molecular formula C26H22ClN3O4 and a molecular weight of 475.93 g/mol. Its IUPAC name is [2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate.

Molecular Properties

• Compound Name: [2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
• PubChem CID: 4608915
• Molecular Formula: C26H22ClN3O4
• Molecular Weight: 475.93 g/mol
• Exact Mass: 475.13
• IUPAC Name: [2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate
• SMILES: CC(=O)OCc1cnc(C)c2o/c(=N\c3cccc(Cl)c3)c(C(=O)Nc3cccc(C)c3)cc12
• InChI: InChI=1S/C26H22ClN3O4/c1-15-6-4-8-20(10-15)29-25(32)23-12-22-18(14-33-17(3)31)13-28-16(2)24(22)34-26(23)30-21-9-5-7-19(27)11-21/h4-13H,14H2,1-3H3,(H,29,32)/b30-26-
• InChIKey: LFRFHDDXJQNQGO-BXVZCJGGSA-N
• XLogP: 5.65
• TPSA: 93.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.93
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate (CID 4608915) is [2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate.

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

The canonical SMILES for [2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate is CC(=O)OCc1cnc(C)c2o/c(=N\c3cccc(Cl)c3)c(C(=O)Nc3cccc(C)c3)cc12.

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

The InChIKey is LFRFHDDXJQNQGO-BXVZCJGGSA-N. The full InChI is InChI=1S/C26H22ClN3O4/c1-15-6-4-8-20(10-15)29-25(32)23-12-22-18(14-33-17(3)31)13-28-16(2)24(22)34-26(23)30-21-9-5-7-19(27)11-21/h4-13H,14H2,1-3H3,(H,29,32)/b30-26-.

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

[2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate has a molecular weight of 475.93 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-chlorophenyl)imino-8-methyl-3-[(3-methylphenyl)carbamoyl]pyrano[2,3-c]pyridin-5-yl]methyl acetate is sourced from PubChem (CID 4608915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).