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

C32H29FN4O4 — CID 144819129

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

5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 144819129) has the molecular formula C32H29FN4O4 and a molecular weight of 552.61 g/mol. Its IUPAC name is 5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 144819129
• Molecular Formula: C32H29FN4O4
• Molecular Weight: 552.61 g/mol
• Exact Mass: 552.22
• IUPAC Name: 5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide
• SMILES: CCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1
• InChI: InChI=1S/C32H29FN4O4/c1-2-21-3-5-22(6-4-21)30(38)23-15-17-37(18-16-23)32(40)24-7-13-28(34-19-24)31(39)36-26-10-14-29(35-20-26)41-27-11-8-25(33)9-12-27/h3-14,19-20,23H,2,15-18H2,1H3,(H,36,39)
• InChIKey: JYZVGYBENZJTCS-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.61
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide (CID 144819129) is 5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide is CCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)nc3)CC2)cc1.

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

The InChIKey is JYZVGYBENZJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O4/c1-2-21-3-5-22(6-4-21)30(38)23-15-17-37(18-16-23)32(40)24-7-13-28(34-19-24)31(39)36-26-10-14-29(35-20-26)41-27-11-8-25(33)9-12-27/h3-14,19-20,23H,2,15-18H2,1H3,(H,36,39).

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

5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 552.61 g/mol, XLogP of 5.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-ethylbenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 144819129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).