[4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone

C17H18N4O — CID 91093899

IUPAC[4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(/N=N/Cc2ccncc2)cc1)N1CCCC1
InChIInChI=1S/C17H18N4O/c22-17(21-11-1-2-12-21)15-3-5-16(6-4-15)20-19-13-14-7-9-18-10-8-14/h3-10H,1-2,11-13H2/b20-19+
InChIKeyHBUAPYJOZYKSTF-FMQUCBEESA-N
MW294.36 g/mol
LogP3.60
Rot. Bonds4

About [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone

[4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 91093899) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID91093899
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name[4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(/N=N/Cc2ccncc2)cc1)N1CCCC1
InChIInChI=1S/C17H18N4O/c22-17(21-11-1-2-12-21)15-3-5-16(6-4-15)20-19-13-14-7-9-18-10-8-14/h3-10H,1-2,11-13H2/b20-19+
InChIKeyHBUAPYJOZYKSTF-FMQUCBEESA-N
XLogP3.60
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone (CID 91093899) is [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(/N=N/Cc2ccncc2)cc1)N1CCCC1.
What is the InChIKey of [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HBUAPYJOZYKSTF-FMQUCBEESA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(21-11-1-2-12-21)15-3-5-16(6-4-15)20-19-13-14-7-9-18-10-8-14/h3-10H,1-2,11-13H2/b20-19+.
What are the key properties of [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 294.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-4-ylmethyldiazenyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91093899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).