5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide

C37H39FN4O6 — CID 90643907

IUPAC5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cccc(O)c1C(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1
InChIInChI=1S/C37H39FN4O6/c1-23-4-2-7-33(44)34(23)36(46)41-28-10-8-27(9-11-28)40-35(45)32-20-26(38)21-39-37(32)48-30-6-3-5-24(19-30)31-13-12-29(43)18-25(31)22-42-14-16-47-17-15-42/h2-7,12-13,18-21,27-28,43-44H,8-11,14-17,22H2,1H3,(H,40,45)(H,41,46)
InChIKeyLFNCYAMTTNERTN-UHFFFAOYSA-N
MW654.74 g/mol
LogP5.70
Rot. Bonds9

About 5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide

5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (PubChem CID 90643907) has the molecular formula C37H39FN4O6 and a molecular weight of 654.74 g/mol. Its IUPAC name is 5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
PubChem CID90643907
Molecular FormulaC37H39FN4O6
Molecular Weight654.74 g/mol
Exact Mass654.29
IUPAC Name5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide
SMILESCc1cccc(O)c1C(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1
InChIInChI=1S/C37H39FN4O6/c1-23-4-2-7-33(44)34(23)36(46)41-28-10-8-27(9-11-28)40-35(45)32-20-26(38)21-39-37(32)48-30-6-3-5-24(19-30)31-13-12-29(43)18-25(31)22-42-14-16-47-17-15-42/h2-7,12-13,18-21,27-28,43-44H,8-11,14-17,22H2,1H3,(H,40,45)(H,41,46)
InChIKeyLFNCYAMTTNERTN-UHFFFAOYSA-N
XLogP5.70
TPSA133.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.74
LogP ≤ 55.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[(2-hydroxy-6-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-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide (CID 90643907) is 5-fluoro-N-[4-[(2-hydroxy-6-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-6-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-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is Cc1cccc(O)c1C(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(-c3ccc(O)cc3CN3CCOCC3)c2)CC1.
What is the InChIKey of 5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is LFNCYAMTTNERTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39FN4O6/c1-23-4-2-7-33(44)34(23)36(46)41-28-10-8-27(9-11-28)40-35(45)32-20-26(38)21-39-37(32)48-30-6-3-5-24(19-30)31-13-12-29(43)18-25(31)22-42-14-16-47-17-15-42/h2-7,12-13,18-21,27-28,43-44H,8-11,14-17,22H2,1H3,(H,40,45)(H,41,46).
What are the key properties of 5-fluoro-N-[4-[(2-hydroxy-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide?
5-fluoro-N-[4-[(2-hydroxy-6-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-6-methylbenzoyl)amino]cyclohexyl]-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 90643907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).