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

C27H23N7O3 — CID 169094893

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

N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 169094893) has the molecular formula C27H23N7O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-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-cyano-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
• PubChem CID: 169094893
• Molecular Formula: C27H23N7O3
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.19
• IUPAC Name: N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-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(C#N)c2)no1
• InChI: InChI=1S/C27H23N7O3/c1-17-31-26(33-37-17)20-8-9-23(21(12-20)14-28)18-4-6-19(7-5-18)27(35)32-25-13-24(22(15-29)16-30-25)36-11-10-34(2)3/h4-9,12-13,16H,10-11H2,1-3H3,(H,30,32,35)
• InChIKey: LUFNCYOYMOMMNR-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 140.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-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-cyano-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 169094893) is N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-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-cyano-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-cyano-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(C#N)c2)no1.

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

The InChIKey is LUFNCYOYMOMMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O3/c1-17-31-26(33-37-17)20-8-9-23(21(12-20)14-28)18-4-6-19(7-5-18)27(35)32-25-13-24(22(15-29)16-30-25)36-11-10-34(2)3/h4-9,12-13,16H,10-11H2,1-3H3,(H,30,32,35).

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

N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 493.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 169094893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).