1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium

C32H45N6O5+ — CID 145234696

IUPAC1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium
SMILESCC.Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.O=C1C(N2CCOCC2)=CCCN1c1ccc([NH2+]O)cc1
InChIInChI=1S/C15H19N3O3.C15H19N3O2.C2H6/c19-15-14(17-8-10-21-11-9-17)2-1-7-18(15)13-5-3-12(16-20)4-6-13;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;1-2/h2-6,16,20H,1,7-11H2;2-6H,1,7-11,16H2;1-2H3/p+1
InChIKeyLYKNYEIFQWNQFB-UHFFFAOYSA-O
MW593.75 g/mol
LogP2.47
Rot. Bonds5

About 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium

1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium (PubChem CID 145234696) has the molecular formula C32H45N6O5+ and a molecular weight of 593.75 g/mol. Its IUPAC name is 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium.

Molecular Properties

Compound Name1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium
PubChem CID145234696
Molecular FormulaC32H45N6O5+
Molecular Weight593.75 g/mol
Exact Mass593.34
IUPAC Name1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium
SMILESCC.Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.O=C1C(N2CCOCC2)=CCCN1c1ccc([NH2+]O)cc1
InChIInChI=1S/C15H19N3O3.C15H19N3O2.C2H6/c19-15-14(17-8-10-21-11-9-17)2-1-7-18(15)13-5-3-12(16-20)4-6-13;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;1-2/h2-6,16,20H,1,7-11H2;2-6H,1,7-11,16H2;1-2H3/p+1
InChIKeyLYKNYEIFQWNQFB-UHFFFAOYSA-O
XLogP2.47
TPSA128.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.75
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine
CID 168606000
2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169341997
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
1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 118086872
1-(4-iodophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;5-morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-2,3-dihydropyridin-6-one;piperidin-2-one
CID 158323736
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CID 155858557
tert-butyl 5-(4-aminophenyl)-1,2,5-oxadiazepane-2-carboxylate
CID 46849968
4-amino-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]benzamide
CID 6244951
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
CID 70192799
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CID 102501069
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CID 115025957

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium?
The IUPAC name of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium (CID 145234696) is 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium.
What is the SMILES notation for 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium?
The canonical SMILES for 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium is CC.Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.O=C1C(N2CCOCC2)=CCCN1c1ccc([NH2+]O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium?
The InChIKey is LYKNYEIFQWNQFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19N3O3.C15H19N3O2.C2H6/c19-15-14(17-8-10-21-11-9-17)2-1-7-18(15)13-5-3-12(16-20)4-6-13;16-12-3-5-13(6-4-12)18-7-1-2-14(15(18)19)17-8-10-20-11-9-17;1-2/h2-6,16,20H,1,7-11H2;2-6H,1,7-11,16H2;1-2H3/p+1.
What are the key properties of 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium?
1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium has a molecular weight of 593.75 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-5-morpholin-4-yl-2,3-dihydropyridin-6-one;ethane;hydroxy-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]azanium is sourced from PubChem (CID 145234696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).