4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide

C97H97ClFN9O9 — CID 167655548

About 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide

4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide (PubChem CID 167655548) has the molecular formula C97H97ClFN9O9 and a molecular weight of 1587.35 g/mol. Its IUPAC name is 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide
• PubChem CID: 167655548
• Molecular Formula: C97H97ClFN9O9
• Molecular Weight: 1587.35 g/mol
• Exact Mass: 1585.71
• IUPAC Name: 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide
• SMILES: CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1
• InChI: InChI=1S/C25H26N2O3.C24H23ClN2O2.C24H23FN2O2.C24H25N3O2/c1-4-27(2)25(29)22-13-9-20(10-14-22)19-7-11-21(12-8-19)23(28)15-5-18-6-16-24(30-3)26-17-18;3*1-3-27(2)24(29)21-12-8-19(9-13-21)18-6-10-20(11-7-18)22(28)14-4-17-5-15-23(25)26-16-17/h6-14,16-17H,4-5,15H2,1-3H3;2*5-13,15-16H,3-4,14H2,1-2H3;5-13,15-16H,3-4,14H2,1-2H3,(H2,25,26)
• InChIKey: REYKTQUKPIRBRW-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 236.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1587.35
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide?

The IUPAC name of 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide (CID 167655548) is 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide.

What is the SMILES notation for 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide?

The canonical SMILES for 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide is CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)cc2)cc1.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1.

What is the InChIKey of 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide?

The InChIKey is REYKTQUKPIRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3.C24H23ClN2O2.C24H23FN2O2.C24H25N3O2/c1-4-27(2)25(29)22-13-9-20(10-14-22)19-7-11-21(12-8-19)23(28)15-5-18-6-16-24(30-3)26-17-18;3*1-3-27(2)24(29)21-12-8-19(9-13-21)18-6-10-20(11-7-18)22(28)14-4-17-5-15-23(25)26-16-17/h6-14,16-17H,4-5,15H2,1-3H3;2*5-13,15-16H,3-4,14H2,1-2H3;5-13,15-16H,3-4,14H2,1-2H3,(H2,25,26).

What are the key properties of 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide?

4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide has a molecular weight of 1587.35 g/mol, XLogP of 19.01, 29 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-N-ethyl-N-methylbenzamide;N-ethyl-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 167655548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).