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

C26H20N4O2 — CID 66799690

IUPAC4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(C#N)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C26H20N4O2/c1-30(21-5-3-2-4-6-21)25-16-20(15-24(29-25)26(28)31)19-9-13-23(14-10-19)32-22-11-7-18(17-27)8-12-22/h2-16H,1H3,(H2,28,31)
InChIKeyVZNITGDXFAQVJZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.28
Rot. Bonds6

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

4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide (PubChem CID 66799690) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide
PubChem CID66799690
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(C#N)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C26H20N4O2/c1-30(21-5-3-2-4-6-21)25-16-20(15-24(29-25)26(28)31)19-9-13-23(14-10-19)32-22-11-7-18(17-27)8-12-22/h2-16H,1H3,(H2,28,31)
InChIKeyVZNITGDXFAQVJZ-UHFFFAOYSA-N
XLogP5.28
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide (CID 66799690) is 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide is CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(C#N)cc3)cc2)cc(C(N)=O)n1.
What is the InChIKey of 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
The InChIKey is VZNITGDXFAQVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-30(21-5-3-2-4-6-21)25-16-20(15-24(29-25)26(28)31)19-9-13-23(14-10-19)32-22-11-7-18(17-27)8-12-22/h2-16H,1H3,(H2,28,31).
What are the key properties of 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide?
4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenoxy)phenyl]-6-(N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 66799690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).