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

C25H20FN3O2 — CID 66799822

IUPAC4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C25H20FN3O2/c1-29(20-5-3-2-4-6-20)24-16-18(15-23(28-24)25(27)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H2,27,30)
InChIKeyHRVSVELWRVZJLP-UHFFFAOYSA-N
MW413.45 g/mol
LogP5.55
Rot. Bonds6

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

4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide (PubChem CID 66799822) has the molecular formula C25H20FN3O2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide
PubChem CID66799822
Molecular FormulaC25H20FN3O2
Molecular Weight413.45 g/mol
Exact Mass413.15
IUPAC Name4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C25H20FN3O2/c1-29(20-5-3-2-4-6-20)24-16-18(15-23(28-24)25(27)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H2,27,30)
InChIKeyHRVSVELWRVZJLP-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide (CID 66799822) is 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide is CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(C(N)=O)n1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
The InChIKey is HRVSVELWRVZJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O2/c1-29(20-5-3-2-4-6-20)24-16-18(15-23(28-24)25(27)30)17-7-11-21(12-8-17)31-22-13-9-19(26)10-14-22/h2-16H,1H3,(H2,27,30).
What are the key properties of 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
4-[4-(4-fluorophenoxy)phenyl]-6-(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 4-[4-(4-fluorophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 66799822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).