N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide

C25H23F2N3O — CID 162045156

About N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide

N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide (PubChem CID 162045156) has the molecular formula C25H23F2N3O and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide
• PubChem CID: 162045156
• Molecular Formula: C25H23F2N3O
• Molecular Weight: 419.48 g/mol
• Exact Mass: 419.18
• IUPAC Name: N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide
• SMILES: CC(C)(C)c1ccc(NC(=O)Cc2ccc(-c3cnc4c(c3)C(F)=CC4)cc2F)cn1
• InChI: InChI=1S/C25H23F2N3O/c1-25(2,3)23-9-6-18(14-29-23)30-24(31)12-16-5-4-15(11-21(16)27)17-10-19-20(26)7-8-22(19)28-13-17/h4-7,9-11,13-14H,8,12H2,1-3H3,(H,30,31)
• InChIKey: YXUDCGALOLILEX-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.48
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide?

The IUPAC name of N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide (CID 162045156) is N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide.

What is the SMILES notation for N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide?

The canonical SMILES for N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide is CC(C)(C)c1ccc(NC(=O)Cc2ccc(-c3cnc4c(c3)C(F)=CC4)cc2F)cn1.

What is the InChIKey of N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide?

The InChIKey is YXUDCGALOLILEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O/c1-25(2,3)23-9-6-18(14-29-23)30-24(31)12-16-5-4-15(11-21(16)27)17-10-19-20(26)7-8-22(19)28-13-17/h4-7,9-11,13-14H,8,12H2,1-3H3,(H,30,31).

What are the key properties of N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide?

N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-tert-butyl-3-pyridinyl)-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 162045156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).