[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

C13H19N3O3 — CID 66057048

IUPAC[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)c1cncc(O)c1
InChIInChI=1S/C13H19N3O3/c1-15(2)7-10-4-12(18)8-16(10)13(19)9-3-11(17)6-14-5-9/h3,5-6,10,12,17-18H,4,7-8H2,1-2H3
InChIKeyAIJUXUVENRQQES-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.08
Rot. Bonds3

About [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 66057048) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID66057048
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)c1cncc(O)c1
InChIInChI=1S/C13H19N3O3/c1-15(2)7-10-4-12(18)8-16(10)13(19)9-3-11(17)6-14-5-9/h3,5-6,10,12,17-18H,4,7-8H2,1-2H3
InChIKeyAIJUXUVENRQQES-UHFFFAOYSA-N
XLogP-0.08
TPSA76.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 66057048) is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is CN(C)CC1CC(O)CN1C(=O)c1cncc(O)c1.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is AIJUXUVENRQQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15(2)7-10-4-12(18)8-16(10)13(19)9-3-11(17)6-14-5-9/h3,5-6,10,12,17-18H,4,7-8H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 265.31 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 66057048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).