N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide

C25H23F2N3O5 — CID 10005507

IUPACN-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1)c1cc(O)ccc1O
InChIInChI=1S/C25H23F2N3O5/c26-14-1-8-19(9-2-14)35-25-21(11-15(27)13-28-25)24(34)30-17-5-3-16(4-6-17)29-23(33)20-12-18(31)7-10-22(20)32/h1-2,7-13,16-17,31-32H,3-6H2,(H,29,33)(H,30,34)
InChIKeyXKJIIIMBTGRHEJ-UHFFFAOYSA-N
MW483.47 g/mol
LogP4.03
Rot. Bonds6

About N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide

N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide (PubChem CID 10005507) has the molecular formula C25H23F2N3O5 and a molecular weight of 483.47 g/mol. Its IUPAC name is N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
PubChem CID10005507
Molecular FormulaC25H23F2N3O5
Molecular Weight483.47 g/mol
Exact Mass483.16
IUPAC NameN-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1)c1cc(O)ccc1O
InChIInChI=1S/C25H23F2N3O5/c26-14-1-8-19(9-2-14)35-25-21(11-15(27)13-28-25)24(34)30-17-5-3-16(4-6-17)29-23(33)20-12-18(31)7-10-22(20)32/h1-2,7-13,16-17,31-32H,3-6H2,(H,29,33)(H,30,34)
InChIKeyXKJIIIMBTGRHEJ-UHFFFAOYSA-N
XLogP4.03
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide (CID 10005507) is N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide is O=C(NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1)c1cc(O)ccc1O.
What is the InChIKey of N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The InChIKey is XKJIIIMBTGRHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O5/c26-14-1-8-19(9-2-14)35-25-21(11-15(27)13-28-25)24(34)30-17-5-3-16(4-6-17)29-23(33)20-12-18(31)7-10-22(20)32/h1-2,7-13,16-17,31-32H,3-6H2,(H,29,33)(H,30,34).
What are the key properties of N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide?
N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide has a molecular weight of 483.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 10005507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).