5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide

C26H26F2N4O4 — CID 10006011

IUPAC5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C26H26F2N4O4/c27-17-4-10-22(11-5-17)36-25-23(13-18(28)15-29-25)24(34)31-19-6-8-20(9-7-19)32-26(35)30-14-16-2-1-3-21(33)12-16/h1-5,10-13,15,19-20,33H,6-9,14H2,(H,31,34)(H2,30,32,35)
InChIKeyJAQIIOXPBFWTJX-UHFFFAOYSA-N
MW496.51 g/mol
LogP4.40
Rot. Bonds7

About 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide

5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide (PubChem CID 10006011) has the molecular formula C26H26F2N4O4 and a molecular weight of 496.51 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
PubChem CID10006011
Molecular FormulaC26H26F2N4O4
Molecular Weight496.51 g/mol
Exact Mass496.19
IUPAC Name5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(O)c1)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1
InChIInChI=1S/C26H26F2N4O4/c27-17-4-10-22(11-5-17)36-25-23(13-18(28)15-29-25)24(34)31-19-6-8-20(9-7-19)32-26(35)30-14-16-2-1-3-21(33)12-16/h1-5,10-13,15,19-20,33H,6-9,14H2,(H,31,34)(H2,30,32,35)
InChIKeyJAQIIOXPBFWTJX-UHFFFAOYSA-N
XLogP4.40
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide (CID 10006011) is 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide is O=C(NCc1cccc(O)c1)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1.
What is the InChIKey of 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is JAQIIOXPBFWTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O4/c27-17-4-10-22(11-5-17)36-25-23(13-18(28)15-29-25)24(34)31-19-6-8-20(9-7-19)32-26(35)30-14-16-2-1-3-21(33)12-16/h1-5,10-13,15,19-20,33H,6-9,14H2,(H,31,34)(H2,30,32,35).
What are the key properties of 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide?
5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 4.40, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 10006011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).