N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide

C14H20N4O — CID 55052611

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H20N4O/c15-17-12-4-2-1-3-11(12)14(19)16-13-9-18-7-5-10(13)6-8-18/h1-4,10,13,17H,5-9,15H2,(H,16,19)
InChIKeyMALSXHQDVOPHGV-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.80
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide (PubChem CID 55052611) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
PubChem CID55052611
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide
SMILESNNc1ccccc1C(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H20N4O/c15-17-12-4-2-1-3-11(12)14(19)16-13-9-18-7-5-10(13)6-8-18/h1-4,10,13,17H,5-9,15H2,(H,16,19)
InChIKeyMALSXHQDVOPHGV-UHFFFAOYSA-N
XLogP0.80
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
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

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydroxybenzamide
CID 15020109
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloronaphthalene-1-carboxamide
CID 3996470
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzamide;oxalic acid
CID 24834277
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-hydrazinylbenzamide
CID 62247113
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]quinoline-8-carboxamide
CID 69380368
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-methylindole-3-carboxamide
CID 14578824
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906
3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-nitrobenzamide
CID 115548331
N-(2-cyclopropyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114120833
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methyl-5-phenylbenzamide
CID 11415960

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide (CID 55052611) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide is NNc1ccccc1C(=O)NC1CN2CCC1CC2.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide?
The InChIKey is MALSXHQDVOPHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-17-12-4-2-1-3-11(12)14(19)16-13-9-18-7-5-10(13)6-8-18/h1-4,10,13,17H,5-9,15H2,(H,16,19).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-hydrazinylbenzamide is sourced from PubChem (CID 55052611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).