N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C71H67F6N9O6 — CID 167662284

About N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167662284) has the molecular formula C71H67F6N9O6 and a molecular weight of 1256.36 g/mol. Its IUPAC name is N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• PubChem CID: 167662284
• Molecular Formula: C71H67F6N9O6
• Molecular Weight: 1256.36 g/mol
• Exact Mass: 1255.51
• IUPAC Name: N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cn2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)nc2)cc1F
• InChI: InChI=1S/C24H23F2N3O2.C24H24FN3O2.C23H20F3N3O2/c1-4-24(31)29(3)21-10-6-17(13-19(21)25)20-9-5-18(14-27-20)22(30)11-7-16-8-12-23(26)28-15(16)2;1-4-24(30)28(3)22-11-8-18(14-20(22)25)19-7-10-21(27-15-19)23(29)12-9-17-6-5-13-26-16(17)2;1-3-22(31)29(2)19-9-5-15(12-17(19)24)18-8-4-16(13-27-18)20(30)10-6-14-7-11-21(25)28-23(14)26/h5-6,8-10,12-14H,4,7,11H2,1-3H3;5-8,10-11,13-15H,4,9,12H2,1-3H3;4-5,7-9,11-13H,3,6,10H2,1-2H3
• InChIKey: SCTMFHWNCDSCLU-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 189.48 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.36
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The IUPAC name of N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167662284) is N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

What is the SMILES notation for N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The canonical SMILES for N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cn2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)nc2)cc1F.

What is the InChIKey of N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The InChIKey is SCTMFHWNCDSCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2.C24H24FN3O2.C23H20F3N3O2/c1-4-24(31)29(3)21-10-6-17(13-19(21)25)20-9-5-18(14-27-20)22(30)11-7-16-8-12-23(26)28-15(16)2;1-4-24(30)28(3)22-11-8-18(14-20(22)25)19-7-10-21(27-15-19)23(29)12-9-17-6-5-13-26-16(17)2;1-3-22(31)29(2)19-9-5-15(12-17(19)24)18-8-4-16(13-27-18)20(30)10-6-14-7-11-21(25)28-23(14)26/h5-6,8-10,12-14H,4,7,11H2,1-3H3;5-8,10-11,13-15H,4,9,12H2,1-3H3;4-5,7-9,11-13H,3,6,10H2,1-2H3.

What are the key properties of N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 1256.36 g/mol, XLogP of 14.45, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167662284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).