6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

C30H32F4N6O2 — CID 67266982

About 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67266982) has the molecular formula C30H32F4N6O2 and a molecular weight of 584.62 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 67266982
• Molecular Formula: C30H32F4N6O2
• Molecular Weight: 584.62 g/mol
• Exact Mass: 584.25
• IUPAC Name: 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1
• InChI: InChI=1S/C30H32F4N6O2/c31-23-3-1-2-20(16-23)26-6-4-21(17-35-26)28(41)38-25-10-14-40(15-11-25)27-7-5-22(18-36-27)29(42)37-24-8-12-39(13-9-24)19-30(32,33)34/h1-7,16-18,24-25H,8-15,19H2,(H,37,42)(H,38,41)
• InChIKey: HXGNTMKQYAJXQD-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.62
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide (CID 67266982) is 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(CC(F)(F)F)CC1)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1.

What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is HXGNTMKQYAJXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F4N6O2/c31-23-3-1-2-20(16-23)26-6-4-21(17-35-26)28(41)38-25-10-14-40(15-11-25)27-7-5-22(18-36-27)29(42)37-24-8-12-39(13-9-24)19-30(32,33)34/h1-7,16-18,24-25H,8-15,19H2,(H,37,42)(H,38,41).

What are the key properties of 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide?

6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 584.62 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluorophenyl)-N-[1-[5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamoyl]-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67266982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).