(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone

C16H18N4O3 — CID 163358245

IUPAC(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(OCC2CCN(C(=O)c3cncc(O)c3)C2)nn1
InChIInChI=1S/C16H18N4O3/c1-11-2-3-15(19-18-11)23-10-12-4-5-20(9-12)16(22)13-6-14(21)8-17-7-13/h2-3,6-8,12,21H,4-5,9-10H2,1H3
InChIKeyOZMYBJFNSPFFSP-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.43
Rot. Bonds4

About (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone

(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone (PubChem CID 163358245) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
PubChem CID163358245
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(OCC2CCN(C(=O)c3cncc(O)c3)C2)nn1
InChIInChI=1S/C16H18N4O3/c1-11-2-3-15(19-18-11)23-10-12-4-5-20(9-12)16(22)13-6-14(21)8-17-7-13/h2-3,6-8,12,21H,4-5,9-10H2,1H3
InChIKeyOZMYBJFNSPFFSP-UHFFFAOYSA-N
XLogP1.43
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

1-benzofuran-2-yl-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone
CID 154576332
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
[3-[[6-(3-fluorophenyl)pyridazin-3-yl]oxymethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154581477
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]ethanone
CID 154576140
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63852069
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115313946

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone (CID 163358245) is (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone is Cc1ccc(OCC2CCN(C(=O)c3cncc(O)c3)C2)nn1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
The InChIKey is OZMYBJFNSPFFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-2-3-15(19-18-11)23-10-12-4-5-20(9-12)16(22)13-6-14(21)8-17-7-13/h2-3,6-8,12,21H,4-5,9-10H2,1H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone?
(5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone has a molecular weight of 314.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[3-[(6-methylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 163358245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).