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

C35H36FN5O6 — CID 59190556

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

5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide (PubChem CID 59190556) 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-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 59190556
• 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-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(NC(=O)c2ncccc2O)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1
• InChI: InChI=1S/C35H36FN5O6/c36-24-19-30(33(44)39-25-6-8-26(9-7-25)40-34(45)32-31(43)5-2-12-37-32)35(38-20-24)47-28-4-1-3-22(18-28)29-11-10-27(42)17-23(29)21-41-13-15-46-16-14-41/h1-5,10-12,17-20,25-26,42-43H,6-9,13-16,21H2,(H,39,44)(H,40,45)
• InChIKey: UEDFRNFASVBNTC-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-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide (CID 59190556) is 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-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-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(NC(=O)c2ncccc2O)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1.

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

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

5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-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-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 59190556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).