5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide

C30H23F3N4O4 — CID 58073146

About 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide

5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 58073146) has the molecular formula C30H23F3N4O4 and a molecular weight of 560.53 g/mol. Its IUPAC name is 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 58073146
• Molecular Formula: C30H23F3N4O4
• Molecular Weight: 560.53 g/mol
• Exact Mass: 560.17
• IUPAC Name: 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(F)(C(=O)c3ccc(F)cc3)CC2)cn1
• InChI: InChI=1S/C30H23F3N4O4/c31-21-4-1-19(2-5-21)27(38)30(33)13-15-37(16-14-30)29(40)20-3-11-25(34-17-20)28(39)36-23-8-12-26(35-18-23)41-24-9-6-22(32)7-10-24/h1-12,17-18H,13-16H2,(H,36,39)
• InChIKey: KJSYIIMVXXSKOC-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.53
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide (CID 58073146) is 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(F)(C(=O)c3ccc(F)cc3)CC2)cn1.

What is the InChIKey of 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?

The InChIKey is KJSYIIMVXXSKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O4/c31-21-4-1-19(2-5-21)27(38)30(33)13-15-37(16-14-30)29(40)20-3-11-25(34-17-20)28(39)36-23-8-12-26(35-18-23)41-24-9-6-22(32)7-10-24/h1-12,17-18H,13-16H2,(H,36,39).

What are the key properties of 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide?

5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 560.53 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-fluoro-4-(4-fluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 58073146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).