3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone

C16H24N4O — CID 62930011

IUPAC3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
SMILESNNc1ncccc1C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H24N4O/c17-19-14-13(5-4-10-18-14)15(21)20-11-8-16(9-12-20)6-2-1-3-7-16/h4-5,10H,1-3,6-9,11-12,17H2,(H,18,19)
InChIKeyUUGJYSZHFCQURB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.55
Rot. Bonds2

About 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone

3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone (PubChem CID 62930011) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
PubChem CID62930011
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone
SMILESNNc1ncccc1C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H24N4O/c17-19-14-13(5-4-10-18-14)15(21)20-11-8-16(9-12-20)6-2-1-3-7-16/h4-5,10H,1-3,6-9,11-12,17H2,(H,18,19)
InChIKeyUUGJYSZHFCQURB-UHFFFAOYSA-N
XLogP2.55
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-hydrazinyl-3-pyridinyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62234639
(2-hydrazinyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249880
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
[2-(methylamino)-3-pyridinyl]-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 50956103
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
(2-hydrazinyl-3-pyridinyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 62236169
8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501
(2-amino-3-methylphenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936838
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839
(2-amino-3-fluoro-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 105386193

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone (CID 62930011) is 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone is NNc1ncccc1C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone?
The InChIKey is UUGJYSZHFCQURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c17-19-14-13(5-4-10-18-14)15(21)20-11-8-16(9-12-20)6-2-1-3-7-16/h4-5,10H,1-3,6-9,11-12,17H2,(H,18,19).
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone?
3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-(2-hydrazinyl-3-pyridinyl)methanone is sourced from PubChem (CID 62930011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).