3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione

C13H17N3O2 — CID 65301250

IUPAC3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCNc1ccc(CN2C(=O)CC(C)(C)C2=O)cn1
InChIInChI=1S/C13H17N3O2/c1-13(2)6-11(17)16(12(13)18)8-9-4-5-10(14-3)15-7-9/h4-5,7H,6,8H2,1-3H3,(H,14,15)
InChIKeyJFZWJOFBDNKSII-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.41
Rot. Bonds3

About 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione

3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione (PubChem CID 65301250) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
PubChem CID65301250
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
SMILESCNc1ccc(CN2C(=O)CC(C)(C)C2=O)cn1
InChIInChI=1S/C13H17N3O2/c1-13(2)6-11(17)16(12(13)18)8-9-4-5-10(14-3)15-7-9/h4-5,7H,6,8H2,1-3H3,(H,14,15)
InChIKeyJFZWJOFBDNKSII-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[6-(methylamino)-3-pyridinyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207122
1-[[4-(2-aminoethyl)phenyl]methyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65297333
4-[[6-(methylamino)-3-pyridinyl]methyl]piperazine-2,6-dione
CID 66085785
5,5-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]azepan-2-one
CID 65284295
5-(azepan-1-ylmethyl)-N-methylpyridin-2-amine
CID 62182145
1-[[6-(methylamino)-3-pyridinyl]methyl]pyridin-2-one
CID 62208669
1-[[6-(methylamino)-3-pyridinyl]methyl]azetidin-3-ol
CID 130991793
1-[(6-hydrazinyl-3-pyridinyl)methyl]azepane-2,7-dione
CID 62245601
2-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 114198396
8-[[6-(methylamino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769443
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 104968869
3,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 65298014

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione (CID 65301250) is 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione is CNc1ccc(CN2C(=O)CC(C)(C)C2=O)cn1.
What is the InChIKey of 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is JFZWJOFBDNKSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)6-11(17)16(12(13)18)8-9-4-5-10(14-3)15-7-9/h4-5,7H,6,8H2,1-3H3,(H,14,15).
What are the key properties of 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione?
3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[[6-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 65301250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).