6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide

C25H20FN3O2 — CID 56943456

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H20FN3O2/c1-29(19-5-3-2-4-6-19)20-15-23(28-24(16-20)25(27)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H2,27,30)
InChIKeyIHUMQNZIRSUKLU-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.55
Rot. Bonds6

About 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide (PubChem CID 56943456) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
PubChem CID56943456
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H20FN3O2/c1-29(19-5-3-2-4-6-19)20-15-23(28-24(16-20)25(27)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H2,27,30)
InChIKeyIHUMQNZIRSUKLU-UHFFFAOYSA-N
XLogP5.55
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.45
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide (CID 56943456) is 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide is CN(c1ccccc1)c1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The InChIKey is IHUMQNZIRSUKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-29(19-5-3-2-4-6-19)20-15-23(28-24(16-20)25(27)30)17-7-11-21(12-8-17)31-22-13-9-18(26)10-14-22/h2-16H,1H3,(H2,27,30).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 56943456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).