5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one

C14H21N3O2 — CID 171489722

IUPAC5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1nc(C)ccc1CNCC1CCC(=O)N1C
InChIInChI=1S/C14H21N3O2/c1-10-4-5-11(14(16-10)19-3)8-15-9-12-6-7-13(18)17(12)2/h4-5,12,15H,6-9H2,1-3H3
InChIKeyNKRAIDHQCPLFRM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.11
Rot. Bonds5

About 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one

5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one (PubChem CID 171489722) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one
PubChem CID171489722
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1nc(C)ccc1CNCC1CCC(=O)N1C
InChIInChI=1S/C14H21N3O2/c1-10-4-5-11(14(16-10)19-3)8-15-9-12-6-7-13(18)17(12)2/h4-5,12,15H,6-9H2,1-3H3
InChIKeyNKRAIDHQCPLFRM-UHFFFAOYSA-N
XLogP1.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxy-5,6-dimethyl-3-pyridinyl)methyl)amino)-6-methyl-
CID 454375
L 702007
CID 72381
(5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 166629576
1-[(2-methoxyphenyl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791049
N-[(6-cyclopentyl-2-methoxy-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2,2-dimethylbutanamide
CID 56865714
[(2R)-1-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylcarbamoylamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 141643470
US11045457, Example 83
CID 146402335
US11045457, Example 10
CID 146402377
(2-Methoxy-6-methylpyridin-3-yl)methanamine
CID 20483658
N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 37485935
N-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 53516725
(8aS)-7-[(6-methoxy-2-pyridinyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75368561

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one (CID 171489722) is 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one is COc1nc(C)ccc1CNCC1CCC(=O)N1C.
What is the InChIKey of 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is NKRAIDHQCPLFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-4-5-11(14(16-10)19-3)8-15-9-12-6-7-13(18)17(12)2/h4-5,12,15H,6-9H2,1-3H3.
What are the key properties of 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one?
5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxy-6-methyl-3-pyridinyl)methylamino]methyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 171489722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).