(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone

C13H14N2O4 — CID 107523358

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1C#CCO)N1CC(O)C(O)C1
InChIInChI=1S/C13H14N2O4/c16-6-2-4-9-3-1-5-14-12(9)13(19)15-7-10(17)11(18)8-15/h1,3,5,10-11,16-18H,6-8H2
InChIKeyHOXDKQKQNDUDIP-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.40
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone

(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone (PubChem CID 107523358) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
PubChem CID107523358
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1C#CCO)N1CC(O)C(O)C1
InChIInChI=1S/C13H14N2O4/c16-6-2-4-9-3-1-5-14-12(9)13(19)15-7-10(17)11(18)8-15/h1,3,5,10-11,16-18H,6-8H2
InChIKeyHOXDKQKQNDUDIP-UHFFFAOYSA-N
XLogP-1.40
TPSA93.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523336
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522944
(3,3-dimethylpyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522862
4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methylpiperazin-2-one
CID 107522681
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-2-pyridinyl]methanone
CID 107524658
4-[3-(3-hydroxyprop-1-ynyl)pyridine-2-carbonyl]-1-methyl-1,4-diazepan-2-one
CID 107523333
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107523372
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 107522754
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107523740
[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 107523332
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521157

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone (CID 107523358) is (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone is O=C(c1ncccc1C#CCO)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
The InChIKey is HOXDKQKQNDUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-6-2-4-9-3-1-5-14-12(9)13(19)15-7-10(17)11(18)8-15/h1,3,5,10-11,16-18H,6-8H2.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone?
(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone has a molecular weight of 262.26 g/mol, XLogP of -1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone is sourced from PubChem (CID 107523358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).