[3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate

C31H33N3O7 — CID 46369148

About [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate

[3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate (PubChem CID 46369148) has the molecular formula C31H33N3O7 and a molecular weight of 559.62 g/mol. Its IUPAC name is [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate.

Molecular Properties

• Compound Name: [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate
• PubChem CID: 46369148
• Molecular Formula: C31H33N3O7
• Molecular Weight: 559.62 g/mol
• Exact Mass: 559.23
• IUPAC Name: [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate
• SMILES: CCCC(=O)OCc1cnc(C)c2o/c(=N\c3ccccc3OCC)c(C(=O)Nc3ccc(OC)cc3OC)cc12
• InChI: InChI=1S/C31H33N3O7/c1-6-10-28(35)40-18-20-17-32-19(3)29-22(20)16-23(30(36)33-25-14-13-21(37-4)15-27(25)38-5)31(41-29)34-24-11-8-9-12-26(24)39-7-2/h8-9,11-17H,6-7,10,18H2,1-5H3,(H,33,36)/b34-31-
• InChIKey: JDMIWPAXNKLDIP-NMSHJFGGSA-N
• XLogP: 5.88
• TPSA: 121.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.62
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate (CID 46369148) is [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate.

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

The canonical SMILES for [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate is CCCC(=O)OCc1cnc(C)c2o/c(=N\c3ccccc3OCC)c(C(=O)Nc3ccc(OC)cc3OC)cc12.

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

The InChIKey is JDMIWPAXNKLDIP-NMSHJFGGSA-N. The full InChI is InChI=1S/C31H33N3O7/c1-6-10-28(35)40-18-20-17-32-19(3)29-22(20)16-23(30(36)33-25-14-13-21(37-4)15-27(25)38-5)31(41-29)34-24-11-8-9-12-26(24)39-7-2/h8-9,11-17H,6-7,10,18H2,1-5H3,(H,33,36)/b34-31-.

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

[3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate has a molecular weight of 559.62 g/mol, XLogP of 5.88, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate is sourced from PubChem (CID 46369148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).