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

C30H23F3N4O4 — CID 66710581

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

6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 66710581) has the molecular formula C30H23F3N4O4 and a molecular weight of 560.53 g/mol. Its IUPAC name is 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 66710581
• Molecular Formula: C30H23F3N4O4
• Molecular Weight: 560.53 g/mol
• Exact Mass: 560.17
• IUPAC Name: 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1
• InChI: InChI=1S/C30H23F3N4O4/c31-20-2-6-23(7-3-20)41-27-10-5-22(17-35-27)36-29(39)19-1-9-26(34-16-19)30(40)37-13-11-18(12-14-37)28(38)24-8-4-21(32)15-25(24)33/h1-10,15-18H,11-14H2,(H,36,39)
• InChIKey: MMDHXUCOBFMXDW-UHFFFAOYSA-N
• XLogP: 5.67
• 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	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 66710581) is 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3F)CC2)nc1.

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

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

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

6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 560.53 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2,4-difluorobenzoyl)piperidine-1-carbonyl]-N-[6-(4-fluorophenoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).