N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide

C98H99ClFN9O12 — CID 167653829

About N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide (PubChem CID 167653829) has the molecular formula C98H99ClFN9O12 and a molecular weight of 1649.37 g/mol. Its IUPAC name is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide
• PubChem CID: 167653829
• Molecular Formula: C98H99ClFN9O12
• Molecular Weight: 1649.37 g/mol
• Exact Mass: 1647.71
• IUPAC Name: N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)c(O)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)c(O)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)c(O)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)c(O)c2)cc1
• InChI: InChI=1S/C26H28N2O3.C24H23ClN2O3.C24H23FN2O3.C24H25N3O3/c1-5-26(31)28(4)22-12-8-20(9-13-22)21-10-14-23(25(30)16-21)24(29)15-11-19-7-6-17(2)27-18(19)3;3*1-3-24(30)27(2)19-9-6-17(7-10-19)18-8-11-20(22(29)14-18)21(28)12-4-16-5-13-23(25)26-15-16/h6-10,12-14,16,30H,5,11,15H2,1-4H3;2*5-11,13-15,29H,3-4,12H2,1-2H3;5-11,13-15,29H,3-4,12H2,1-2H3,(H2,25,26)
• InChIKey: QYPLGEAGWRUHAE-UHFFFAOYSA-N
• XLogP: 19.56
• TPSA: 308.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1649.37
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	5
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-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide?

The IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide (CID 167653829) is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide.

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

The canonical SMILES for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)c(O)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(Cl)nc3)c(O)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)c(O)c2)cc1.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)c(O)c2)cc1.

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

The InChIKey is QYPLGEAGWRUHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3.C24H23ClN2O3.C24H23FN2O3.C24H25N3O3/c1-5-26(31)28(4)22-12-8-20(9-13-22)21-10-14-23(25(30)16-21)24(29)15-11-19-7-6-17(2)27-18(19)3;3*1-3-24(30)27(2)19-9-6-17(7-10-19)18-8-11-20(22(29)14-18)21(28)12-4-16-5-13-23(25)26-15-16/h6-10,12-14,16,30H,5,11,15H2,1-4H3;2*5-11,13-15,29H,3-4,12H2,1-2H3;5-11,13-15,29H,3-4,12H2,1-2H3,(H2,25,26).

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

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide has a molecular weight of 1649.37 g/mol, XLogP of 19.56, 28 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167653829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).