5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile

C16H14N6O2 — CID 67072539

IUPAC5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(OC3CCNCC3)c(C#N)n[nH]c2=O)cn1
InChIInChI=1S/C16H14N6O2/c17-7-11-2-1-10(9-20-11)14-15(13(8-18)21-22-16(14)23)24-12-3-5-19-6-4-12/h1-2,9,12,19H,3-6H2,(H,22,23)
InChIKeyWOCWIPAJIQUURD-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.71
Rot. Bonds3

About 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile

5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile (PubChem CID 67072539) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile.

Molecular Properties

Compound Name5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile
PubChem CID67072539
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(OC3CCNCC3)c(C#N)n[nH]c2=O)cn1
InChIInChI=1S/C16H14N6O2/c17-7-11-2-1-10(9-20-11)14-15(13(8-18)21-22-16(14)23)24-12-3-5-19-6-4-12/h1-2,9,12,19H,3-6H2,(H,22,23)
InChIKeyWOCWIPAJIQUURD-UHFFFAOYSA-N
XLogP0.71
TPSA127.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-piperidin-4-yloxypyridazine-3-carbonitrile
CID 146286887
CID 153376709
CID 153376709
5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile
CID 115487907
5-[(2S)-pyrrolidin-2-yl]pyridine-2-carbonitrile
CID 55274675
5-(4-fluorophenyl)-2-piperidin-4-yloxypyridine
CID 22646730
3,5-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)-1,2-oxazole
CID 166019964
5-piperidin-2-ylpyridine-2-carbonitrile
CID 55271438
5-(3,3-dimethylcyclohexyl)oxypyridine-2-carbonitrile
CID 58495682
5-[[(2S)-azetidin-2-yl]methoxy]pyridine-2-carbonitrile
CID 21345216
5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 59828899
2-methyl-1-oxo-4-phenyl-6-piperidin-4-yloxyisoquinoline-3-carbonitrile
CID 11175802
2-[amino(cyclobutyl)methyl]-8-(6-cyano-3-pyridinyl)-4,5-dihydro-1H-pyrrolo[2,3-f]isoquinoline-3-carboxylic acid
CID 66684427

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile?
The IUPAC name of 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile (CID 67072539) is 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile.
What is the SMILES notation for 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile?
The canonical SMILES for 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile is N#Cc1ccc(-c2c(OC3CCNCC3)c(C#N)n[nH]c2=O)cn1.
What is the InChIKey of 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile?
The InChIKey is WOCWIPAJIQUURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-7-11-2-1-10(9-20-11)14-15(13(8-18)21-22-16(14)23)24-12-3-5-19-6-4-12/h1-2,9,12,19H,3-6H2,(H,22,23).
What are the key properties of 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile?
5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile has a molecular weight of 322.33 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyano-3-pyridinyl)-6-oxo-4-piperidin-4-yloxy-1H-pyridazine-3-carbonitrile is sourced from PubChem (CID 67072539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).