3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one

C12H17N3O — CID 114956294

IUPAC3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESCNC1CCN(Cc2cnccc2C)C1=O
InChIInChI=1S/C12H17N3O/c1-9-3-5-14-7-10(9)8-15-6-4-11(13-2)12(15)16/h3,5,7,11,13H,4,6,8H2,1-2H3
InChIKeyOQSZSACFKFTHRD-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.71
Rot. Bonds3

About 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one

3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 114956294) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID114956294
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one
SMILESCNC1CCN(Cc2cnccc2C)C1=O
InChIInChI=1S/C12H17N3O/c1-9-3-5-14-7-10(9)8-15-6-4-11(13-2)12(15)16/h3,5,7,11,13H,4,6,8H2,1-2H3
InChIKeyOQSZSACFKFTHRD-UHFFFAOYSA-N
XLogP0.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(4-methyl-3-pyridinyl)methyl]-1,4-diazepane-2,5-dione
CID 114957747
1-[(2,4-difluorophenyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 62228510
5-methyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one
CID 20590048
1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 55140549
1-[(2-ethylphenyl)methyl]-3-(methylamino)piperidin-2-one
CID 64695618
3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-one
CID 106402196
3-bromo-1-[(3-methyl-4-pyridinyl)methyl]piperidin-2-one
CID 114701948
1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114957636
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
3-(cyclopropylmethyl)-4-methylpyridine
CID 166091588
2-[(3-methyl-4-pyridinyl)methyl]-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 114702131
3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591599

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one (CID 114956294) is 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one is CNC1CCN(Cc2cnccc2C)C1=O.
What is the InChIKey of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is OQSZSACFKFTHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-3-5-14-7-10(9)8-15-6-4-11(13-2)12(15)16/h3,5,7,11,13H,4,6,8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one?
3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 114956294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).