N-(2-azidoethyl)-3-cyanobenzamide

C10H9N5O — CID 61343052

IUPACN-(2-azidoethyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCN=[N+]=[N-])c1
InChIInChI=1S/C10H9N5O/c11-7-8-2-1-3-9(6-8)10(16)13-4-5-14-15-12/h1-3,6H,4-5H2,(H,13,16)
InChIKeyJYVYESRKRAGAIY-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.60
Rot. Bonds4

About N-(2-azidoethyl)-3-cyanobenzamide

N-(2-azidoethyl)-3-cyanobenzamide (PubChem CID 61343052) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is N-(2-azidoethyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-3-cyanobenzamide
PubChem CID61343052
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC NameN-(2-azidoethyl)-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)NCCN=[N+]=[N-])c1
InChIInChI=1S/C10H9N5O/c11-7-8-2-1-3-9(6-8)10(16)13-4-5-14-15-12/h1-3,6H,4-5H2,(H,13,16)
InChIKeyJYVYESRKRAGAIY-UHFFFAOYSA-N
XLogP1.60
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
(2S)-4-[(3-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006574
3-cyano-N-prop-2-enylbenzamide
CID 24701030

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-3-cyanobenzamide?
The IUPAC name of N-(2-azidoethyl)-3-cyanobenzamide (CID 61343052) is N-(2-azidoethyl)-3-cyanobenzamide.
What is the SMILES notation for N-(2-azidoethyl)-3-cyanobenzamide?
The canonical SMILES for N-(2-azidoethyl)-3-cyanobenzamide is N#Cc1cccc(C(=O)NCCN=[N+]=[N-])c1.
What is the InChIKey of N-(2-azidoethyl)-3-cyanobenzamide?
The InChIKey is JYVYESRKRAGAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-7-8-2-1-3-9(6-8)10(16)13-4-5-14-15-12/h1-3,6H,4-5H2,(H,13,16).
What are the key properties of N-(2-azidoethyl)-3-cyanobenzamide?
N-(2-azidoethyl)-3-cyanobenzamide has a molecular weight of 215.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-3-cyanobenzamide is sourced from PubChem (CID 61343052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).