3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

C18H24N4O3 — CID 141256235

IUPAC3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
SMILESO=c1c(NCCCCCN2CCOCC2)c(Nc2ccncc2)c1=O
InChIInChI=1S/C18H24N4O3/c23-17-15(16(18(17)24)21-14-4-7-19-8-5-14)20-6-2-1-3-9-22-10-12-25-13-11-22/h4-5,7-8,20H,1-3,6,9-13H2,(H,19,21)
InChIKeyFPPGCWAINXQQOT-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.34
Rot. Bonds9

About 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione

3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione (PubChem CID 141256235) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
PubChem CID141256235
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
SMILESO=c1c(NCCCCCN2CCOCC2)c(Nc2ccncc2)c1=O
InChIInChI=1S/C18H24N4O3/c23-17-15(16(18(17)24)21-14-4-7-19-8-5-14)20-6-2-1-3-9-22-10-12-25-13-11-22/h4-5,7-8,20H,1-3,6,9-13H2,(H,19,21)
InChIKeyFPPGCWAINXQQOT-UHFFFAOYSA-N
XLogP1.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione 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

N-cyclohexyl-6-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]-N-(2-morpholin-4-ylethoxy)hexane-1-sulfonamide
CID 44556353
14-Oxa-11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
CID 118724729
4,14-Dioxa-11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
CID 118724731
4-Oxa-11,17-diaza-1,7-diazoniatricyclo[16.2.2.27,10]tetracosa-1(21),7,9,18(22),19,23-hexaene dibromide
CID 118724733
3-(3,3-Dimethylbutan-2-ylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 9881974
3-[[(2R)-3,3-dimethylbutan-2-yl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 10612310
N-[2-(3,3-dimethylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]-N-pyridin-4-ylacetamide
CID 22413670
3-(1-Cyclohexylethylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 49830740
3-(Benzylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 25205757
3-{[(1R)-1-Cyclohexylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 25207355
3-[4-(3-Oxomorpholin-4-yl)anilino]-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 162643070
3-(4-Piperidin-1-ylanilino)-4-(pyridin-2-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 162664665

Frequently Asked Questions

What is the IUPAC name of 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione (CID 141256235) is 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione is O=c1c(NCCCCCN2CCOCC2)c(Nc2ccncc2)c1=O.
What is the InChIKey of 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione?
The InChIKey is FPPGCWAINXQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17-15(16(18(17)24)21-14-4-7-19-8-5-14)20-6-2-1-3-9-22-10-12-25-13-11-22/h4-5,7-8,20H,1-3,6,9-13H2,(H,19,21).
What are the key properties of 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione?
3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione has a molecular weight of 344.42 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-morpholin-4-ylpentylamino)-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 141256235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).