3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

C13H19N3O2 — CID 79775943

IUPAC3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCc1ccc(O)cn1)N1CCCC1
InChIInChI=1S/C13H19N3O2/c17-12-4-3-11(15-10-12)9-14-6-5-13(18)16-7-1-2-8-16/h3-4,10,14,17H,1-2,5-9H2
InChIKeyATXARGDPLWXTRW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.89
Rot. Bonds5

About 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 79775943) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID79775943
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNCc1ccc(O)cn1)N1CCCC1
InChIInChI=1S/C13H19N3O2/c17-12-4-3-11(15-10-12)9-14-6-5-13(18)16-7-1-2-8-16/h3-4,10,14,17H,1-2,5-9H2
InChIKeyATXARGDPLWXTRW-UHFFFAOYSA-N
XLogP0.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-1-yl-3-(1,3-thiazol-4-ylmethylamino)propan-1-one
CID 112686333
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
3-[(5-bromo-2-pyridinyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115626598
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-methylpropanamide
CID 79783660
3-(pyrimidin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113411342
3-[(5-hydroxy-2-pyridinyl)methylamino]-N-propan-2-ylpropanamide
CID 113373335
2-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113384058
3-[(6-methyl-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411343
3-[(1-methyltriazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62755577
1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 115587369
2-(5-amino-2-pyridinyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 107339590
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
CID 79775446

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 79775943) is 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNCc1ccc(O)cn1)N1CCCC1.
What is the InChIKey of 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ATXARGDPLWXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-4-3-11(15-10-12)9-14-6-5-13(18)16-7-1-2-8-16/h3-4,10,14,17H,1-2,5-9H2.
What are the key properties of 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2-pyridinyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79775943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).