N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C26H23FN6O3 — CID 169094903

About N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 169094903) has the molecular formula C26H23FN6O3 and a molecular weight of 486.51 g/mol. Its IUPAC name is N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
• PubChem CID: 169094903
• Molecular Formula: C26H23FN6O3
• Molecular Weight: 486.51 g/mol
• Exact Mass: 486.18
• IUPAC Name: N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
• SMILES: Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(C#N)cn4)cc3)c(F)c2)no1
• InChI: InChI=1S/C26H23FN6O3/c1-16-30-25(32-36-16)19-8-9-21(22(27)12-19)17-4-6-18(7-5-17)26(34)31-24-13-23(20(14-28)15-29-24)35-11-10-33(2)3/h4-9,12-13,15H,10-11H2,1-3H3,(H,29,31,34)
• InChIKey: ZKHDTUWYLCRTGZ-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 117.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.51
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The IUPAC name of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 169094903) is N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

What is the SMILES notation for N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The canonical SMILES for N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1nc(-c2ccc(-c3ccc(C(=O)Nc4cc(OCCN(C)C)c(C#N)cn4)cc3)c(F)c2)no1.

What is the InChIKey of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

The InChIKey is ZKHDTUWYLCRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3/c1-16-30-25(32-36-16)19-8-9-21(22(27)12-19)17-4-6-18(7-5-17)26(34)31-24-13-23(20(14-28)15-29-24)35-11-10-33(2)3/h4-9,12-13,15H,10-11H2,1-3H3,(H,29,31,34).

What are the key properties of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?

N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 486.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 169094903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).