2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile

C14H17BN4O — CID 171627576

IUPAC2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile
SMILESN#CB1CCC2(CC1)CCN(c1cncc(N)c1)C2=O
InChIInChI=1S/C14H17BN4O/c16-10-15-4-1-14(2-5-15)3-6-19(13(14)20)12-7-11(17)8-18-9-12/h7-9H,1-6,17H2
InChIKeyIQLVIRLAYQDHDX-UHFFFAOYSA-N
MW268.13 g/mol
LogP1.74
Rot. Bonds1

About 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile

2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile (PubChem CID 171627576) has the molecular formula C14H17BN4O and a molecular weight of 268.13 g/mol. Its IUPAC name is 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile
PubChem CID171627576
Molecular FormulaC14H17BN4O
Molecular Weight268.13 g/mol
Exact Mass268.15
IUPAC Name2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile
SMILESN#CB1CCC2(CC1)CCN(c1cncc(N)c1)C2=O
InChIInChI=1S/C14H17BN4O/c16-10-15-4-1-14(2-5-15)3-6-19(13(14)20)12-7-11(17)8-18-9-12/h7-9H,1-6,17H2
InChIKeyIQLVIRLAYQDHDX-UHFFFAOYSA-N
XLogP1.74
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile with MolForge

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Related Compounds

tert-butyl 2-(5-amino-3-pyridinyl)-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 171627167
7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
CID 70653931
5-(4,4-difluoropiperidin-1-yl)pyridin-3-amine
CID 176901178
8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449899
1-(5-amino-3-pyridinyl)cyclopropane-1-carbonitrile
CID 142611955
(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 129057588
5-morpholin-4-ylpyridin-3-amine;dihydrochloride
CID 67312945
8-[(3,5-dimethylphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155827727
2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
CID 134556753
1-(5-amino-3-pyridinyl)piperidin-2-ol
CID 130114547
8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688528
8-[(4-methoxyphenyl)methyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449888

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile (CID 171627576) is 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile is N#CB1CCC2(CC1)CCN(c1cncc(N)c1)C2=O.
What is the InChIKey of 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile?
The InChIKey is IQLVIRLAYQDHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BN4O/c16-10-15-4-1-14(2-5-15)3-6-19(13(14)20)12-7-11(17)8-18-9-12/h7-9H,1-6,17H2.
What are the key properties of 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile?
2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile has a molecular weight of 268.13 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-pyridinyl)-1-oxo-2-aza-8-boraspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 171627576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).