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

C37H39FN4O6 — CID 59190465

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

5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59190465) has the molecular formula C37H39FN4O6 and a molecular weight of 654.74 g/mol. Its IUPAC name is 5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
• PubChem CID: 59190465
• Molecular Formula: C37H39FN4O6
• Molecular Weight: 654.74 g/mol
• Exact Mass: 654.29
• IUPAC Name: 5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
• SMILES: Cc1ccc(O)c(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCOCC4)c3)CC2)c1
• InChI: InChI=1S/C37H39FN4O6/c1-23-5-12-34(44)32(17-23)35(45)40-27-6-8-28(9-7-27)41-36(46)33-20-26(38)21-39-37(33)48-30-4-2-3-24(19-30)31-11-10-29(43)18-25(31)22-42-13-15-47-16-14-42/h2-5,10-12,17-21,27-28,43-44H,6-9,13-16,22H2,1H3,(H,40,45)(H,41,46)
• InChIKey: DZGQOUTUSDIJNB-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 133.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.74
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (CID 59190465) is 5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.

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

The canonical SMILES for 5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is Cc1ccc(O)c(C(=O)NC2CCC(NC(=O)c3cc(F)cnc3Oc3cccc(-c4ccc(O)cc4CN4CCOCC4)c3)CC2)c1.

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

The InChIKey is DZGQOUTUSDIJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN4O6/c1-23-5-12-34(44)32(17-23)35(45)40-27-6-8-28(9-7-27)41-36(46)33-20-26(38)21-39-37(33)48-30-4-2-3-24(19-30)31-11-10-29(43)18-25(31)22-42-13-15-47-16-14-42/h2-5,10-12,17-21,27-28,43-44H,6-9,13-16,22H2,1H3,(H,40,45)(H,41,46).

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

5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 654.74 g/mol, XLogP of 5.70, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59190465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).