6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C17H18N4O4 — CID 71799106

IUPAC6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
InChIInChI=1S/C17H18N4O4/c18-9-12-1-2-14(19-10-12)25-13-5-7-20(8-6-13)17(24)11-21-15(22)3-4-16(21)23/h1-2,10,13H,3-8,11H2
InChIKeyUDSOJJFIZRBDSL-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.47
Rot. Bonds4

About 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile

6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799106) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799106
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1
InChIInChI=1S/C17H18N4O4/c18-9-12-1-2-14(19-10-12)25-13-5-7-20(8-6-13)17(24)11-21-15(22)3-4-16(21)23/h1-2,10,13H,3-8,11H2
InChIKeyUDSOJJFIZRBDSL-UHFFFAOYSA-N
XLogP0.47
TPSA103.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile 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

6-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799094
6-[1-(hydroxymethyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71063615
6-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 67530014
6-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799107
6-[1-(2-cyclohexylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248669
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799121
6-[1-(cyclopentanecarbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248667
6-[1-(2-cyclopentylsulfanylacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248602
6-[1-(2-ethoxyacetyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248677
4-[[3-[(5-cyano-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024721
6-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248830
1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 90617118

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799106) is 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)CCC3=O)CC2)nc1.
What is the InChIKey of 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is UDSOJJFIZRBDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c18-9-12-1-2-14(19-10-12)25-13-5-7-20(8-6-13)17(24)11-21-15(22)3-4-16(21)23/h1-2,10,13H,3-8,11H2.
What are the key properties of 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).