N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide

C93H89Cl5FN13O8 — CID 167688608

About N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide

N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167688608) has the molecular formula C93H89Cl5FN13O8 and a molecular weight of 1713.08 g/mol. Its IUPAC name is N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
• PubChem CID: 167688608
• Molecular Formula: C93H89Cl5FN13O8
• Molecular Weight: 1713.08 g/mol
• Exact Mass: 1709.54
• IUPAC Name: N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3N)cn2)cc1Cl
• InChI: InChI=1S/C24H24ClN3O2.C23H21Cl2N3O2.C23H21ClFN3O2.C23H23ClN4O2/c1-4-24(30)28(3)22-11-8-18(14-20(22)25)21-10-7-19(15-27-21)23(29)12-9-17-6-5-13-26-16(17)2;3*1-3-22(30)28(2)20-10-7-16(13-18(20)24)19-9-6-17(14-27-19)21(29)11-8-15-5-4-12-26-23(15)25/h5-8,10-11,13-15H,4,9,12H2,1-3H3;2*4-7,9-10,12-14H,3,8,11H2,1-2H3;4-7,9-10,12-14H,3,8,11H2,1-2H3,(H2,25,26)
• InChIKey: WOYWFDALEQEOJY-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 278.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1713.08
LogP ≤ 5	20.62
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-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide?

The IUPAC name of N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide (CID 167688608) is N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide.

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

The canonical SMILES for N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3N)cn2)cc1Cl.

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

The InChIKey is WOYWFDALEQEOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2.C23H21Cl2N3O2.C23H21ClFN3O2.C23H23ClN4O2/c1-4-24(30)28(3)22-11-8-18(14-20(22)25)21-10-7-19(15-27-21)23(29)12-9-17-6-5-13-26-16(17)2;3*1-3-22(30)28(2)20-10-7-16(13-18(20)24)19-9-6-17(14-27-19)21(29)11-8-15-5-4-12-26-23(15)25/h5-8,10-11,13-15H,4,9,12H2,1-3H3;2*4-7,9-10,12-14H,3,8,11H2,1-2H3;4-7,9-10,12-14H,3,8,11H2,1-2H3,(H2,25,26).

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

N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 1713.08 g/mol, XLogP of 20.62, 28 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167688608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).