5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide

C35H36FN5O6 — CID 90643910

About 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide

5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide (PubChem CID 90643910) has the molecular formula C35H36FN5O6 and a molecular weight of 641.70 g/mol. Its IUPAC name is 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 90643910
• Molecular Formula: C35H36FN5O6
• Molecular Weight: 641.70 g/mol
• Exact Mass: 641.26
• IUPAC Name: 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1)c1cncc(O)c1
• InChI: InChI=1S/C35H36FN5O6/c36-25-17-32(34(45)40-27-6-4-26(5-7-27)39-33(44)23-14-29(43)20-37-18-23)35(38-19-25)47-30-3-1-2-22(16-30)31-9-8-28(42)15-24(31)21-41-10-12-46-13-11-41/h1-3,8-9,14-20,26-27,42-43H,4-7,10-13,21H2,(H,39,44)(H,40,45)
• InChIKey: UNWPSEOEUTWMDS-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 146.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.70
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide (CID 90643910) is 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1)c1cncc(O)c1.

What is the InChIKey of 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is UNWPSEOEUTWMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN5O6/c36-25-17-32(34(45)40-27-6-4-26(5-7-27)39-33(44)23-14-29(43)20-37-18-23)35(38-19-25)47-30-3-1-2-22(16-30)31-9-8-28(42)15-24(31)21-41-10-12-46-13-11-41/h1-3,8-9,14-20,26-27,42-43H,4-7,10-13,21H2,(H,39,44)(H,40,45).

What are the key properties of 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?

5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 641.70 g/mol, XLogP of 4.79, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(5-hydroxypyridine-3-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 90643910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).