N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

C16H11ClF6N4O — CID 171785759

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 171785759) has the molecular formula C16H11ClF6N4O and a molecular weight of 424.73 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 171785759
• Molecular Formula: C16H11ClF6N4O
• Molecular Weight: 424.73 g/mol
• Exact Mass: 424.05
• IUPAC Name: N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: O=C(NC1CN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccnc1C(F)(F)F
• InChI: InChI=1S/C16H11ClF6N4O/c17-11-4-8(15(18,19)20)5-25-13(11)27-6-9(7-27)26-14(28)10-2-1-3-24-12(10)16(21,22)23/h1-5,9H,6-7H2,(H,26,28)
• InChIKey: XEPXUDXRIBZWTK-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.73
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 171785759) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cccnc1C(F)(F)F.

What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is XEPXUDXRIBZWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6N4O/c17-11-4-8(15(18,19)20)5-25-13(11)27-6-9(7-27)26-14(28)10-2-1-3-24-12(10)16(21,22)23/h1-5,9H,6-7H2,(H,26,28).

What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 424.73 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171785759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).