(3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

C23H27FN4O2 — CID 124816164

About (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

(3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 124816164) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
• PubChem CID: 124816164
• Molecular Formula: C23H27FN4O2
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.21
• IUPAC Name: (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
• SMILES: CN1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1
• InChI: InChI=1S/C23H27FN4O2/c1-27-15-18(22(29)26-20-6-2-5-19(24)13-20)12-21(27)16-7-10-28(11-8-16)23(30)17-4-3-9-25-14-17/h2-6,9,13-14,16,18,21H,7-8,10-12,15H2,1H3,(H,26,29)/t18-,21-/m0/s1
• InChIKey: IBLPGNRRSLZDQO-RXVVDRJESA-N
• XLogP: 3.03
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

The IUPAC name of (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 124816164) is (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

What is the SMILES notation for (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

The canonical SMILES for (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)Nc2cccc(F)c2)C[C@H]1C1CCN(C(=O)c2cccnc2)CC1.

What is the InChIKey of (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

The InChIKey is IBLPGNRRSLZDQO-RXVVDRJESA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-27-15-18(22(29)26-20-6-2-5-19(24)13-20)12-21(27)16-7-10-28(11-8-16)23(30)17-4-3-9-25-14-17/h2-6,9,13-14,16,18,21H,7-8,10-12,15H2,1H3,(H,26,29)/t18-,21-/m0/s1.

What are the key properties of (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?

(3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S)-N-(3-fluorophenyl)-1-methyl-5-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124816164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).