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

C97H97ClF5N13O8 — CID 167586057

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

N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167586057) has the molecular formula C97H97ClF5N13O8 and a molecular weight of 1703.37 g/mol. Its IUPAC name is N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• PubChem CID: 167586057
• Molecular Formula: C97H97ClF5N13O8
• Molecular Weight: 1703.37 g/mol
• Exact Mass: 1701.72
• IUPAC Name: N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)c(C)c1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)nc2)c(C)c1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)nc2)c(C)c1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)nc2)c(C)c1F
• InChI: InChI=1S/C25H26FN3O2.C24H23ClFN3O2.C24H23F2N3O2.C24H25FN4O2/c1-5-24(31)29(4)22-12-10-20(17(3)25(22)26)19-9-11-21(28-15-19)23(30)13-8-18-7-6-16(2)27-14-18;1-4-23(31)29(3)20-10-8-18(15(2)24(20)26)17-7-9-19(27-14-17)21(30)11-5-16-6-12-22(25)28-13-16;1-4-22(31)29(3)20-11-9-18(15(2)23(20)25)17-7-10-19(28-14-17)21(30)12-8-16-6-5-13-27-24(16)26;1-4-23(31)29(3)20-10-8-18(15(2)24(20)25)17-7-9-19(27-14-17)21(30)11-5-16-6-12-22(26)28-13-16/h6-7,9-12,14-15H,5,8,13H2,1-4H3;6-10,12-14H,4-5,11H2,1-3H3;5-7,9-11,13-14H,4,8,12H2,1-3H3;6-10,12-14H,4-5,11H2,1-3H3,(H2,26,28)
• InChIKey: HUYPXIADLTWEJE-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 278.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1703.37
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167586057) is N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

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

The canonical SMILES for N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)c(C)c1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)nc2)c(C)c1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)nc2)c(C)c1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)nc2)c(C)c1F.

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

The InChIKey is HUYPXIADLTWEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2.C24H23ClFN3O2.C24H23F2N3O2.C24H25FN4O2/c1-5-24(31)29(4)22-12-10-20(17(3)25(22)26)19-9-11-21(28-15-19)23(30)13-8-18-7-6-16(2)27-14-18;1-4-23(31)29(3)20-10-8-18(15(2)24(20)26)17-7-9-19(27-14-17)21(30)11-5-16-6-12-22(25)28-13-16;1-4-22(31)29(3)20-11-9-18(15(2)23(20)25)17-7-10-19(28-14-17)21(30)12-8-16-6-5-13-27-24(16)26;1-4-23(31)29(3)20-10-8-18(15(2)24(20)25)17-7-9-19(27-14-17)21(30)11-5-16-6-12-22(26)28-13-16/h6-7,9-12,14-15H,5,8,13H2,1-4H3;6-10,12-14H,4-5,11H2,1-3H3;5-7,9-11,13-14H,4,8,12H2,1-3H3;6-10,12-14H,4-5,11H2,1-3H3,(H2,26,28).

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

N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 1703.37 g/mol, XLogP of 19.80, 28 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167586057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).