1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one

C14H20ClN3O — CID 104512673

IUPAC1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2nc(NC)ccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-3-4-10-7-14(19)18(8-10)9-12-11(15)5-6-13(16-2)17-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyZCOPOYVJKMLVRK-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.93
Rot. Bonds5

About 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one

1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 104512673) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
PubChem CID104512673
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2nc(NC)ccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c1-3-4-10-7-14(19)18(8-10)9-12-11(15)5-6-13(16-2)17-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyZCOPOYVJKMLVRK-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-ethylpiperazine-2,3-dione
CID 62892416
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 55127356
1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 113421240
4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 104512793
1-[[4-(aminomethyl)phenyl]methyl]-4-propylpyrrolidin-2-one
CID 104510978
5-chloro-6-[(3,5-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62890938
1-[(2-chloro-3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-2-one
CID 67521377
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
CID 104511344
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
CID 104512655
1-[(2-amino-6-bromophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510848

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one (CID 104512673) is 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2nc(NC)ccc2Cl)C1.
What is the InChIKey of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is ZCOPOYVJKMLVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-4-10-7-14(19)18(8-10)9-12-11(15)5-6-13(16-2)17-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 281.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104512673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).