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

IUPAC5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2ncccc2O)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1
InChIInChI=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)
InChIKeyUEDFRNFASVBNTC-UHFFFAOYSA-N
MW641.70 g/mol
LogP4.79
Rot. Bonds9

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 Name5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
PubChem CID59190556
Molecular FormulaC35H36FN5O6
Molecular Weight641.70 g/mol
Exact Mass641.26
IUPAC Name5-fluoro-2-[3-[4-hydroxy-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-N-[4-[(3-hydroxypyridine-2-carbonyl)amino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2ncccc2O)CC1)c1cc(F)cnc1Oc1cccc(-c2ccc(O)cc2CN2CCOCC2)c1
InChIInChI=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)
InChIKeyUEDFRNFASVBNTC-UHFFFAOYSA-N
XLogP4.79
TPSA146.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.70
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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).