1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde

C15H18N4O3 — CID 167282536

IUPAC1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(c2ccc(NC3CCC(=O)NC3=O)cn2)C1
InChIInChI=1S/C15H18N4O3/c20-9-10-5-6-19(8-10)13-3-1-11(7-16-13)17-12-2-4-14(21)18-15(12)22/h1,3,7,9-10,12,17H,2,4-6,8H2,(H,18,21,22)
InChIKeyJEOSLLUHGFTXLP-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.32
Rot. Bonds4

About 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde

1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde (PubChem CID 167282536) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde
PubChem CID167282536
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde
SMILESO=CC1CCN(c2ccc(NC3CCC(=O)NC3=O)cn2)C1
InChIInChI=1S/C15H18N4O3/c20-9-10-5-6-19(8-10)13-3-1-11(7-16-13)17-12-2-4-14(21)18-15(12)22/h1,3,7,9-10,12,17H,2,4-6,8H2,(H,18,21,22)
InChIKeyJEOSLLUHGFTXLP-UHFFFAOYSA-N
XLogP0.32
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde 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

3-[[6-(3-oxoazetidin-1-yl)-3-pyridinyl]amino]piperidine-2,6-dione
CID 166452945
3-[[6-[4-(dimethoxymethyl)piperidin-1-yl]-3-pyridinyl]amino]piperidine-2,6-dione
CID 176705444
tert-butyl 4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146523656
3-[(6-ethyl-3-pyridinyl)amino]piperidine-2,6-dione
CID 156515927
1-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-methylphenyl]piperidine-4-carbaldehyde
CID 167282347
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
3-[4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)anilino]piperidine-2,6-dione
CID 170749022
N-(2,6-dioxopiperidin-3-yl)-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide
CID 176705465
3-[(2-piperidin-4-ylpyrimidin-5-yl)amino]piperidine-2,6-dione
CID 166117145
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]oxypiperidine-1-carbaldehyde
CID 172589741

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde?
The IUPAC name of 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde (CID 167282536) is 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde?
The canonical SMILES for 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde is O=CC1CCN(c2ccc(NC3CCC(=O)NC3=O)cn2)C1.
What is the InChIKey of 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde?
The InChIKey is JEOSLLUHGFTXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-9-10-5-6-19(8-10)13-3-1-11(7-16-13)17-12-2-4-14(21)18-15(12)22/h1,3,7,9-10,12,17H,2,4-6,8H2,(H,18,21,22).
What are the key properties of 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde?
1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde has a molecular weight of 302.33 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 167282536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).