3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione

C12H15N3O3 — CID 114936796

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione
SMILESCOc1ccc(CNC2CCC(=O)NC2=O)cn1
InChIInChI=1S/C12H15N3O3/c1-18-11-5-2-8(7-14-11)6-13-9-3-4-10(16)15-12(9)17/h2,5,7,9,13H,3-4,6H2,1H3,(H,15,16,17)
InChIKeyDYKGRKFHYCKGSW-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.01
Rot. Bonds4

About 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione

3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione (PubChem CID 114936796) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione
PubChem CID114936796
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione
SMILESCOc1ccc(CNC2CCC(=O)NC2=O)cn1
InChIInChI=1S/C12H15N3O3/c1-18-11-5-2-8(7-14-11)6-13-9-3-4-10(16)15-12(9)17/h2,5,7,9,13H,3-4,6H2,1H3,(H,15,16,17)
InChIKeyDYKGRKFHYCKGSW-UHFFFAOYSA-N
XLogP-0.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79483751
N-[(6-methoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466014
3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43637684
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
6-fluoro-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
CID 43206333
3-[(3-chloro-4-fluorophenyl)methylamino]piperidine-2,6-dione
CID 81146324
6-bromo-3-[(6-methoxy-3-pyridinyl)methylamino]-1,3-dihydroindol-2-one
CID 43206349
N-[(6-methoxy-3-pyridinyl)methyl]adamantan-1-amine
CID 114936254
2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methoxybenzaldehyde
CID 139483413
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046504

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione (CID 114936796) is 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione is COc1ccc(CNC2CCC(=O)NC2=O)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione?
The InChIKey is DYKGRKFHYCKGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-11-5-2-8(7-14-11)6-13-9-3-4-10(16)15-12(9)17/h2,5,7,9,13H,3-4,6H2,1H3,(H,15,16,17).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione?
3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)methylamino]piperidine-2,6-dione is sourced from PubChem (CID 114936796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).