1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one

C15H23N3O — CID 104512683

IUPAC1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cccnc2NCC)C1
InChIInChI=1S/C15H23N3O/c1-3-6-12-9-14(19)18(10-12)11-13-7-5-8-17-15(13)16-4-2/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,16,17)
InChIKeyRVXIUNYMBVOINF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds6

About 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one

1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one (PubChem CID 104512683) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
PubChem CID104512683
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(Cc2cccnc2NCC)C1
InChIInChI=1S/C15H23N3O/c1-3-6-12-9-14(19)18(10-12)11-13-7-5-8-17-15(13)16-4-2/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,16,17)
InChIKeyRVXIUNYMBVOINF-UHFFFAOYSA-N
XLogP2.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 104512672
1-ethyl-4-[[2-(ethylamino)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 62464538
1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-4-propylpyrrolidin-2-one
CID 104512655
3-[[2-(ethylamino)-3-pyridinyl]methyl]imidazolidine-2,4-dione
CID 62465248
(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
CID 93009561
2-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511863
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
1-[[4-(methylamino)-2-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 113421240
1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)-4-propylpyrrolidin-2-one
CID 15952555
2-[[2-(ethylamino)-3-pyridinyl]methyl]pyridazin-3-one
CID 55126780
4-(bromomethyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168504283

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one (CID 104512683) is 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(Cc2cccnc2NCC)C1.
What is the InChIKey of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
The InChIKey is RVXIUNYMBVOINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-6-12-9-14(19)18(10-12)11-13-7-5-8-17-15(13)16-4-2/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one?
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104512683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).