6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile

C16H20N4O — CID 102849542

IUPAC6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCCC3(CCCNC3)C2)nc1
InChIInChI=1S/C16H20N4O/c17-9-13-3-4-14(19-10-13)15(21)20-8-2-6-16(12-20)5-1-7-18-11-16/h3-4,10,18H,1-2,5-8,11-12H2
InChIKeyWIAYNIMDDBTCNU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.56
Rot. Bonds1

About 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile

6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile (PubChem CID 102849542) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
PubChem CID102849542
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(=O)N2CCCC3(CCCNC3)C2)nc1
InChIInChI=1S/C16H20N4O/c17-9-13-3-4-14(19-10-13)15(21)20-8-2-6-16(12-20)5-1-7-18-11-16/h3-4,10,18H,1-2,5-8,11-12H2
InChIKeyWIAYNIMDDBTCNU-UHFFFAOYSA-N
XLogP1.56
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile (CID 102849542) is 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile is N#Cc1ccc(C(=O)N2CCCC3(CCCNC3)C2)nc1.
What is the InChIKey of 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile?
The InChIKey is WIAYNIMDDBTCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-9-13-3-4-14(19-10-13)15(21)20-8-2-6-16(12-20)5-1-7-18-11-16/h3-4,10,18H,1-2,5-8,11-12H2.
What are the key properties of 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile?
6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-diazaspiro[5.5]undecane-2-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 102849542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).