2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide

C26H22F3N3O5 — CID 4615110

About 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide

2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4615110) has the molecular formula C26H22F3N3O5 and a molecular weight of 513.47 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
• PubChem CID: 4615110
• Molecular Formula: C26H22F3N3O5
• Molecular Weight: 513.47 g/mol
• Exact Mass: 513.15
• IUPAC Name: 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1
• InChI: InChI=1S/C26H22F3N3O5/c1-14-23-21(15(13-33)12-30-14)11-22(24(34)31-17-6-4-5-16(7-17)26(27,28)29)25(37-23)32-18-8-19(35-2)10-20(9-18)36-3/h4-12,33H,13H2,1-3H3,(H,31,34)/b32-25-
• InChIKey: HMEANWVTWGKXBX-MKCFTUBBSA-N
• XLogP: 5.15
• TPSA: 106.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.47
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide (CID 4615110) is 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide is COc1cc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1.

What is the InChIKey of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?

The InChIKey is HMEANWVTWGKXBX-MKCFTUBBSA-N. The full InChI is InChI=1S/C26H22F3N3O5/c1-14-23-21(15(13-33)12-30-14)11-22(24(34)31-17-6-4-5-16(7-17)26(27,28)29)25(37-23)32-18-8-19(35-2)10-20(9-18)36-3/h4-12,33H,13H2,1-3H3,(H,31,34)/b32-25-.

What are the key properties of 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide?

2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 513.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4615110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).