N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C24H23ClFN3O2 — CID 167705958

About N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167705958) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• PubChem CID: 167705958
• Molecular Formula: C24H23ClFN3O2
• Molecular Weight: 439.92 g/mol
• Exact Mass: 439.15
• IUPAC Name: N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)nc2)cc1Cl
• InChI: InChI=1S/C24H23ClFN3O2/c1-4-24(31)29(3)21-10-6-17(13-19(21)25)18-5-9-20(27-14-18)22(30)11-7-16-8-12-23(26)28-15(16)2/h5-6,8-10,12-14H,4,7,11H2,1-3H3
• InChIKey: PPTLSSWSWUTRBI-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 63.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.92
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The IUPAC name of N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167705958) is N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

What is the SMILES notation for N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The canonical SMILES for N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)nc2)cc1Cl.

What is the InChIKey of N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

The InChIKey is PPTLSSWSWUTRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c1-4-24(31)29(3)21-10-6-17(13-19(21)25)18-5-9-20(27-14-18)22(30)11-7-16-8-12-23(26)28-15(16)2/h5-6,8-10,12-14H,4,7,11H2,1-3H3.

What are the key properties of N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide?

N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 439.92 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167705958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).