3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

C13H19N3O — CID 28654758

IUPAC3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCc1ccccn1)N1CCCC1
InChIInChI=1S/C13H19N3O/c17-13(16-9-3-4-10-16)6-8-14-11-12-5-1-2-7-15-12/h1-2,5,7,14H,3-4,6,8-11H2
InChIKeyYIBBUGAUUQXFPK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds5

About 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one

3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 28654758) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID28654758
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCc1ccccn1)N1CCCC1
InChIInChI=1S/C13H19N3O/c17-13(16-9-3-4-10-16)6-8-14-11-12-5-1-2-7-15-12/h1-2,5,7,14H,3-4,6,8-11H2
InChIKeyYIBBUGAUUQXFPK-UHFFFAOYSA-N
XLogP1.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109014316
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023313
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79775943
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023365
1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
3-[(1-methyltriazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62755577
3-[(1-methylimidazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 55024779
1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 115587369

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 28654758) is 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNCc1ccccn1)N1CCCC1.
What is the InChIKey of 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YIBBUGAUUQXFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(16-9-3-4-10-16)6-8-14-11-12-5-1-2-7-15-12/h1-2,5,7,14H,3-4,6,8-11H2.
What are the key properties of 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one?
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 28654758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).