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

C16H25N3O — CID 104512672

IUPAC4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCCCNc1ncccc1CN1CC(CCC)CC1=O
InChIInChI=1S/C16H25N3O/c1-3-6-13-10-15(20)19(11-13)12-14-7-5-9-18-16(14)17-8-4-2/h5,7,9,13H,3-4,6,8,10-12H2,1-2H3,(H,17,18)
InChIKeyQLXBPBIIRKTDDG-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.05
Rot. Bonds7

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

4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 104512672) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID104512672
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one
SMILESCCCNc1ncccc1CN1CC(CCC)CC1=O
InChIInChI=1S/C16H25N3O/c1-3-6-13-10-15(20)19(11-13)12-14-7-5-9-18-16(14)17-8-4-2/h5,7,9,13H,3-4,6,8,10-12H2,1-2H3,(H,17,18)
InChIKeyQLXBPBIIRKTDDG-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-propylpyrrolidin-2-one
CID 104512683
1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-2-one
CID 55075717
3,4-dimethyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79181550
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
CID 55075292
1-[[2-(propylamino)-3-pyridinyl]methyl]pyridin-4-one
CID 62880693
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
2-[1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-3-yl]ethanol
CID 114799919
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
CID 93009561
4-methyl-3-[[2-(propylamino)-3-pyridinyl]methyl]-1,3-thiazol-2-one
CID 62464559
2-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511863

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one (CID 104512672) is 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one is CCCNc1ncccc1CN1CC(CCC)CC1=O.
What is the InChIKey of 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is QLXBPBIIRKTDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-6-13-10-15(20)19(11-13)12-14-7-5-9-18-16(14)17-8-4-2/h5,7,9,13H,3-4,6,8,10-12H2,1-2H3,(H,17,18).
What are the key properties of 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one?
4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 275.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 104512672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).