N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide

C25H23Cl2F6N5O2 — CID 159910336

About N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide

N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide (PubChem CID 159910336) has the molecular formula C25H23Cl2F6N5O2 and a molecular weight of 610.39 g/mol. Its IUPAC name is N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 159910336
• Molecular Formula: C25H23Cl2F6N5O2
• Molecular Weight: 610.39 g/mol
• Exact Mass: 609.11
• IUPAC Name: N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1ccc(-c2cncc(Cl)c2)nc1C(F)(F)F.CC(C)C(=O)Nc1ccc(Cl)nc1C(F)(F)F
• InChI: InChI=1S/C15H13ClF3N3O.C10H10ClF3N2O/c1-8(2)14(23)22-12-4-3-11(21-13(12)15(17,18)19)9-5-10(16)7-20-6-9;1-5(2)9(17)15-6-3-4-7(11)16-8(6)10(12,13)14/h3-8H,1-2H3,(H,22,23);3-5H,1-2H3,(H,15,17)
• InChIKey: NXCKNGSWUUJZII-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.39
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?

The IUPAC name of N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide (CID 159910336) is N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide.

What is the SMILES notation for N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?

The canonical SMILES for N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(-c2cncc(Cl)c2)nc1C(F)(F)F.CC(C)C(=O)Nc1ccc(Cl)nc1C(F)(F)F.

What is the InChIKey of N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?

The InChIKey is NXCKNGSWUUJZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O.C10H10ClF3N2O/c1-8(2)14(23)22-12-4-3-11(21-13(12)15(17,18)19)9-5-10(16)7-20-6-9;1-5(2)9(17)15-6-3-4-7(11)16-8(6)10(12,13)14/h3-8H,1-2H3,(H,22,23);3-5H,1-2H3,(H,15,17).

What are the key properties of N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide?

N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide has a molecular weight of 610.39 g/mol, XLogP of 7.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(5-chloro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide;N-[6-chloro-2-(trifluoromethyl)-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 159910336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).