5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

C13H19N3O — CID 117022584

IUPAC5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(Cc2ccccn2)C1C
InChIInChI=1S/C13H19N3O/c1-10-11(8-14-2)7-13(17)16(10)9-12-5-3-4-6-15-12/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyZEWGXUFFKOAPFR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.04
Rot. Bonds4

About 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one

5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (PubChem CID 117022584) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
PubChem CID117022584
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
SMILESCNCC1CC(=O)N(Cc2ccccn2)C1C
InChIInChI=1S/C13H19N3O/c1-10-11(8-14-2)7-13(17)16(10)9-12-5-3-4-6-15-12/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyZEWGXUFFKOAPFR-UHFFFAOYSA-N
XLogP1.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 117023330
N-methyl-1-[1-(pyridin-2-ylmethyl)aziridin-2-yl]methanamine
CID 117010161
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
3-ethyl-7-methyl-1-(pyridin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64884616
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
(3aS,6aS)-4-[(2-methylphenyl)methyl]-1-(pyridin-2-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 131682692
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424938
(3aS,6aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 125250829
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one (CID 117022584) is 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is CNCC1CC(=O)N(Cc2ccccn2)C1C.
What is the InChIKey of 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is ZEWGXUFFKOAPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-11(8-14-2)7-13(17)16(10)9-12-5-3-4-6-15-12/h3-6,10-11,14H,7-9H2,1-2H3.
What are the key properties of 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one?
5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylaminomethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 117022584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).