[5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate

C23H22N2O6 — CID 129159122

About [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate

[5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate (PubChem CID 129159122) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate.

Molecular Properties

• Compound Name: [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate
• PubChem CID: 129159122
• Molecular Formula: C23H22N2O6
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.15
• IUPAC Name: [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate
• SMILES: CC(C)(C)c1cc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c(OC(=O)O)o1
• InChI: InChI=1S/C23H22N2O6/c1-23(2,3)19-9-14(21(30-19)31-22(27)28)11-25-20(26)13-4-5-17-16-6-7-24-10-15(16)12-29-18(17)8-13/h4-10H,11-12H2,1-3H3,(H,25,26)(H,27,28)
• InChIKey: GBDQOAGXMMFGAP-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 110.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.44
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate?

The IUPAC name of [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate (CID 129159122) is [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate.

What is the SMILES notation for [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate?

The canonical SMILES for [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate is CC(C)(C)c1cc(CNC(=O)c2ccc3c(c2)OCc2cnccc2-3)c(OC(=O)O)o1.

What is the InChIKey of [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate?

The InChIKey is GBDQOAGXMMFGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-23(2,3)19-9-14(21(30-19)31-22(27)28)11-25-20(26)13-4-5-17-16-6-7-24-10-15(16)12-29-18(17)8-13/h4-10H,11-12H2,1-3H3,(H,25,26)(H,27,28).

What are the key properties of [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate?

[5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate has a molecular weight of 422.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-tert-butyl-3-[(5H-chromeno[3,4-c]pyridine-8-carbonylamino)methyl]furan-2-yl] hydrogen carbonate is sourced from PubChem (CID 129159122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).