5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one

C11H15N3O2 — CID 107529033

IUPAC5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(NCC2CCC(=O)N2)cn1
InChIInChI=1S/C11H15N3O2/c1-16-11-5-3-8(6-13-11)12-7-9-2-4-10(15)14-9/h3,5-6,9,12H,2,4,7H2,1H3,(H,14,15)
InChIKeyDFKUETLZUQDBNF-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.78
Rot. Bonds4

About 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one

5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one (PubChem CID 107529033) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
PubChem CID107529033
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(NCC2CCC(=O)N2)cn1
InChIInChI=1S/C11H15N3O2/c1-16-11-5-3-8(6-13-11)12-7-9-2-4-10(15)14-9/h3,5-6,9,12H,2,4,7H2,1H3,(H,14,15)
InChIKeyDFKUETLZUQDBNF-UHFFFAOYSA-N
XLogP0.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one 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-methoxy-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106636193
5-[(4-fluoro-3-methoxyanilino)methyl]pyrrolidin-2-one
CID 107530110
5-[(3-ethoxyanilino)methyl]pyrrolidin-2-one
CID 107529293
5-[[(4-methoxy-6-methylpyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 112691898
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 118773691
3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 43637684
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-6-methoxypyridin-3-amine
CID 43755848
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
4-(6-methoxy-3-pyridinyl)azetidin-2-one
CID 114938690
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridin-3-amine
CID 63771060
5-[[(3-bromo-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 106875761
5-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one (CID 107529033) is 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one is COc1ccc(NCC2CCC(=O)N2)cn1.
What is the InChIKey of 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is DFKUETLZUQDBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11-5-3-8(6-13-11)12-7-9-2-4-10(15)14-9/h3,5-6,9,12H,2,4,7H2,1H3,(H,14,15).
What are the key properties of 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one?
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).