N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C18H16F6N4O2 — CID 55794757

About N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55794757) has the molecular formula C18H16F6N4O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55794757
• Molecular Formula: C18H16F6N4O2
• Molecular Weight: 434.34 g/mol
• Exact Mass: 434.12
• IUPAC Name: N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• SMILES: O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCN(c2ncccc2C(F)(F)F)C1
• InChI: InChI=1S/C18H16F6N4O2/c19-17(20,21)11-7-13(16(30)26-8-11)27-15(29)10-3-2-6-28(9-10)14-12(18(22,23)24)4-1-5-25-14/h1,4-5,7-8,10H,2-3,6,9H2,(H,26,30)(H,27,29)
• InChIKey: PWKABGXQVGGVNO-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.34
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55794757) is N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1CCCN(c2ncccc2C(F)(F)F)C1.

What is the InChIKey of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is PWKABGXQVGGVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O2/c19-17(20,21)11-7-13(16(30)26-8-11)27-15(29)10-3-2-6-28(9-10)14-12(18(22,23)24)4-1-5-25-14/h1,4-5,7-8,10H,2-3,6,9H2,(H,26,30)(H,27,29).

What are the key properties of N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 434.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55794757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).