2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile

C18H18N6O2 — CID 169341997

IUPAC2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H18N6O2/c19-12-15(13-20)22-21-14-3-5-16(6-4-14)24-7-1-2-17(18(24)25)23-8-10-26-11-9-23/h2-6,21H,1,7-11H2
InChIKeyHMYOPRMFGYNTHS-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.45
Rot. Bonds4

About 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169341997) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169341997
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H18N6O2/c19-12-15(13-20)22-21-14-3-5-16(6-4-14)24-7-1-2-17(18(24)25)23-8-10-26-11-9-23/h2-6,21H,1,7-11H2
InChIKeyHMYOPRMFGYNTHS-UHFFFAOYSA-N
XLogP1.45
TPSA104.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(diaminomethylidene)-2-[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]guanidine
CID 168606000
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
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169337896
2-[[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]hydrazinylidene]propanedinitrile
CID 169339207
2-[[4-(4-propylpiperazin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169339750
2-[(2-morpholin-4-yl-1,3-benzothiazol-6-yl)hydrazinylidene]propanedinitrile
CID 169341496
2-[[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337957
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
2-[(5-chloro-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169339155
2-[(5-bromo-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169341352
1-[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 118086872
1-[4-[2-(dicyanomethylidene)hydrazinyl]phenyl]pyrazole-3-carboxylic acid
CID 169339917

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169341997) is 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1.
What is the InChIKey of 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is HMYOPRMFGYNTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-12-15(13-20)22-21-14-3-5-16(6-4-14)24-7-1-2-17(18(24)25)23-8-10-26-11-9-23/h2-6,21H,1,7-11H2.
What are the key properties of 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 350.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-morpholin-4-yl-6-oxo-2,3-dihydropyridin-1-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).