1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one

C63H87N9O9 — CID 159744474

About 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one

1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one (PubChem CID 159744474) has the molecular formula C63H87N9O9 and a molecular weight of 1114.44 g/mol. Its IUPAC name is 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one
• PubChem CID: 159744474
• Molecular Formula: C63H87N9O9
• Molecular Weight: 1114.44 g/mol
• Exact Mass: 1113.66
• IUPAC Name: 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one
• SMILES: CCCCCC(=O)Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.CCCCCC(C)=O.Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.O=C1CCCCN1c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1
• InChI: InChI=1S/C21H29N3O3.C20H25N3O3.C15H19N3O2.C7H14O/c1-2-3-4-7-20(25)22-17-8-10-18(11-9-17)24-12-5-6-19(21(24)26)23-13-15-27-16-14-23;24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;1-3-4-5-6-7(2)8/h6,8-11H,2-5,7,12-16H2,1H3,(H,22,25);4,6-9H,1-3,5,10-15H2;2-6H,1,7-11,16H2;3-6H2,1-2H3
• InChIKey: NCWGMLVLHTVOJJ-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 190.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1114.44
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one?

The IUPAC name of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one (CID 159744474) is 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one.

What is the SMILES notation for 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one?

The canonical SMILES for 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one is CCCCCC(=O)Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.CCCCCC(C)=O.Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.O=C1CCCCN1c1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.

What is the InChIKey of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one?

The InChIKey is NCWGMLVLHTVOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3.C20H25N3O3.C15H19N3O2.C7H14O/c1-2-3-4-7-20(25)22-17-8-10-18(11-9-17)24-12-5-6-19(21(24)26)23-13-15-27-16-14-23;24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;1-3-4-5-6-7(2)8/h6,8-11H,2-5,7,12-16H2,1H3,(H,22,25);4,6-9H,1-3,5,10-15H2;2-6H,1,7-11,16H2;3-6H2,1-2H3.

What are the key properties of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one?

1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one has a molecular weight of 1114.44 g/mol, XLogP of 8.69, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;heptan-2-one;N-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hexanamide;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one is sourced from PubChem (CID 159744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).