9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

C25H23N3O4 — CID 170834146

About 9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170834146) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
• PubChem CID: 170834146
• Molecular Formula: C25H23N3O4
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.17
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
• SMILES: Cc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cnc1C#N
• InChI: InChI=1S/C25H23N3O4/c1-15-10-16(12-27-22(15)11-26)24(30)23(29)13-28-25(31)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-10,12,21,23-24,29-30H,13-14H2,1H3,(H,28,31)
• InChIKey: SGZRXCKZSAIUAJ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 115.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 170834146) is 9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.

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

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is Cc1cc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cnc1C#N.

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

The InChIKey is SGZRXCKZSAIUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-15-10-16(12-27-22(15)11-26)24(30)23(29)13-28-25(31)32-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-10,12,21,23-24,29-30H,13-14H2,1H3,(H,28,31).

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

9H-fluoren-9-ylmethyl N-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 429.48 g/mol, XLogP of 3.19, 6 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-[3-(6-cyano-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170834146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).