5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide

C28H27FN4O2 — CID 118212803

About 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide

5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 118212803) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 118212803
• Molecular Formula: C28H27FN4O2
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.21
• IUPAC Name: 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
• SMILES: CC(=O)N1CCCC1c1ccc(Cc2cncc(C(=O)NCc3cc4cc[nH]c4cc3F)c2)cc1
• InChI: InChI=1S/C28H27FN4O2/c1-18(34)33-10-2-3-27(33)21-6-4-19(5-7-21)11-20-12-24(16-30-15-20)28(35)32-17-23-13-22-8-9-31-26(22)14-25(23)29/h4-9,12-16,27,31H,2-3,10-11,17H2,1H3,(H,32,35)
• InChIKey: FWUQRROOBWHEON-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide (CID 118212803) is 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide is CC(=O)N1CCCC1c1ccc(Cc2cncc(C(=O)NCc3cc4cc[nH]c4cc3F)c2)cc1.

What is the InChIKey of 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?

The InChIKey is FWUQRROOBWHEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O2/c1-18(34)33-10-2-3-27(33)21-6-4-19(5-7-21)11-20-12-24(16-30-15-20)28(35)32-17-23-13-22-8-9-31-26(22)14-25(23)29/h4-9,12-16,27,31H,2-3,10-11,17H2,1H3,(H,32,35).

What are the key properties of 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide?

5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(1-acetylpyrrolidin-2-yl)phenyl]methyl]-N-[(6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118212803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).