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

C11H15N3O — CID 104891772

IUPAC1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCc1cccc(NC2CCN(C)C2=O)n1
InChIInChI=1S/C11H15N3O/c1-8-4-3-5-10(12-8)13-9-6-7-14(2)11(9)15/h3-5,9H,6-7H2,1-2H3,(H,12,13)
InChIKeyXWMWIVYQKUBMFT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.03
Rot. Bonds2

About 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one

1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 104891772) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
PubChem CID104891772
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCc1cccc(NC2CCN(C)C2=O)n1
InChIInChI=1S/C11H15N3O/c1-8-4-3-5-10(12-8)13-9-6-7-14(2)11(9)15/h3-5,9H,6-7H2,1-2H3,(H,12,13)
InChIKeyXWMWIVYQKUBMFT-UHFFFAOYSA-N
XLogP1.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133483895
3-[(8-methoxyquinolin-2-yl)amino]-1-methylpyrrolidin-2-one
CID 45229761
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256
(3R)-1-methyl-3-[[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318486
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
(3S)-1-methyl-3-[[2-[[(3S)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318487
1-methyl-3-[(1-methylbenzimidazol-2-yl)amino]pyrrolidin-2-one
CID 113341915
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
CID 103858137
6-[[1-(2,5-dimethylpyrazol-3-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122048334
3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one (CID 104891772) is 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one is Cc1cccc(NC2CCN(C)C2=O)n1.
What is the InChIKey of 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is XWMWIVYQKUBMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-4-3-5-10(12-8)13-9-6-7-14(2)11(9)15/h3-5,9H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one?
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 104891772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).