9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate

C25H26N2O5 — CID 170834286

About 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate (PubChem CID 170834286) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate
• PubChem CID: 170834286
• Molecular Formula: C25H26N2O5
• Molecular Weight: 434.49 g/mol
• Exact Mass: 434.18
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate
• SMILES: COc1ncc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C
• InChI: InChI=1S/C25H26N2O5/c1-15-11-16(12-26-24(15)31-2)23(29)22(28)13-27-25(30)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,21-23,28-29H,13-14H2,1-2H3,(H,27,30)
• InChIKey: QFGRBMFERQSVEB-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 100.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.49
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate (CID 170834286) is 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate is COc1ncc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate?

The InChIKey is QFGRBMFERQSVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-15-11-16(12-26-24(15)31-2)23(29)22(28)13-27-25(30)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-12,21-23,28-29H,13-14H2,1-2H3,(H,27,30).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate?

9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate has a molecular weight of 434.49 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(6-methoxy-5-methyl-3-pyridinyl)propyl]carbamate is sourced from PubChem (CID 170834286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).