5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane

C19H23N3O4 — CID 142180152

IUPAC5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane
SMILESCC.Cn1cc(NC2=C(NCc3ccccc3)C(O)C2=O)c(O)cc1=O
InChIInChI=1S/C17H17N3O4.C2H6/c1-20-9-11(12(21)7-13(20)22)19-15-14(16(23)17(15)24)18-8-10-5-3-2-4-6-10;1-2/h2-7,9,16,18-19,21,23H,8H2,1H3;1-2H3
InChIKeyHGFGLYSPVRYSND-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.47
Rot. Bonds5

About 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane

5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane (PubChem CID 142180152) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane.

Molecular Properties

Compound Name5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane
PubChem CID142180152
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane
SMILESCC.Cn1cc(NC2=C(NCc3ccccc3)C(O)C2=O)c(O)cc1=O
InChIInChI=1S/C17H17N3O4.C2H6/c1-20-9-11(12(21)7-13(20)22)19-15-14(16(23)17(15)24)18-8-10-5-3-2-4-6-10;1-2/h2-7,9,16,18-19,21,23H,8H2,1H3;1-2H3
InChIKeyHGFGLYSPVRYSND-UHFFFAOYSA-N
XLogP1.47
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane with MolForge

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Related Compounds

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-3-hydroxy-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
CID 54737735
N-(4-fluorobenzyl)-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 16853186
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-3-hydroxy-4-oxo-1H-pyridine-2-carboxamide
CID 54736832
(2Z)-4-[[2-[1-(3,5-difluorophenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-3-hydroxy-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 89354774
3-[[2-[1-(3,5-difluorophenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 142810121
3-[(3-Fluorophenyl)methylamino]-4-hydroxycyclobut-2-en-1-one
CID 10845982
2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-phenethylacetamide
CID 16853190
1-Benzyl-3-hydroxy-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]pyridin-2-one
CID 22339923
3-(benzylamino)-4-{[(2S)-2-hydroxypropyl]amino}cyclobut-3-ene-1,2-dione
CID 49657165
N-[1-(benzylamino)-1-oxopropan-2-yl]-3-hydroxy-4-oxo-1H-pyridine-2-carboxamide
CID 54684259
3-[(4-hydroxy-1-methyl-6-oxo-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
CID 58735915
5-amino-3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 71190340

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane?
The IUPAC name of 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane (CID 142180152) is 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane.
What is the SMILES notation for 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane?
The canonical SMILES for 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane is CC.Cn1cc(NC2=C(NCc3ccccc3)C(O)C2=O)c(O)cc1=O.
What is the InChIKey of 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane?
The InChIKey is HGFGLYSPVRYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4.C2H6/c1-20-9-11(12(21)7-13(20)22)19-15-14(16(23)17(15)24)18-8-10-5-3-2-4-6-10;1-2/h2-7,9,16,18-19,21,23H,8H2,1H3;1-2H3.
What are the key properties of 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane?
5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane has a molecular weight of 357.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(benzylamino)-3-hydroxy-4-oxocyclobuten-1-yl]amino]-4-hydroxy-1-methylpyridin-2-one;ethane is sourced from PubChem (CID 142180152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).