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

C25H25F2N3O2 — CID 167561732

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

N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide (PubChem CID 167561732) has the molecular formula C25H25F2N3O2 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide
• PubChem CID: 167561732
• Molecular Formula: C25H25F2N3O2
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.19
• IUPAC Name: N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)c(F)c1
• InChI: InChI=1S/C25H25F2N3O2/c1-4-25(32)30(3)15-17-5-9-20(21(26)13-17)22-10-6-19(14-28-22)23(31)11-7-18-8-12-24(27)29-16(18)2/h5-6,8-10,12-14H,4,7,11,15H2,1-3H3
• InChIKey: CDZBDKMSCKLYGF-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 63.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.49
LogP ≤ 5	4.91
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-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide?

The IUPAC name of N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide (CID 167561732) is N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide.

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

The canonical SMILES for N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide is CCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)c(F)c1.

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

The InChIKey is CDZBDKMSCKLYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2/c1-4-25(32)30(3)15-17-5-9-20(21(26)13-17)22-10-6-19(14-28-22)23(31)11-7-18-8-12-24(27)29-16(18)2/h5-6,8-10,12-14H,4,7,11,15H2,1-3H3.

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

N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide has a molecular weight of 437.49 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 167561732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).