N-acridin-4-yl-2-cyanoacetamide

C16H11N3O — CID 168524343

IUPACN-acridin-4-yl-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cccc2cc3ccccc3nc12
InChIInChI=1S/C16H11N3O/c17-9-8-15(20)18-14-7-3-5-12-10-11-4-1-2-6-13(11)19-16(12)14/h1-7,10H,8H2,(H,18,20)
InChIKeyDXFQKHMGSWIYTK-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.24
Rot. Bonds2

About N-acridin-4-yl-2-cyanoacetamide

N-acridin-4-yl-2-cyanoacetamide (PubChem CID 168524343) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is N-acridin-4-yl-2-cyanoacetamide.

Molecular Properties

Compound NameN-acridin-4-yl-2-cyanoacetamide
PubChem CID168524343
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC NameN-acridin-4-yl-2-cyanoacetamide
SMILESN#CCC(=O)Nc1cccc2cc3ccccc3nc12
InChIInChI=1S/C16H11N3O/c17-9-8-15(20)18-14-7-3-5-12-10-11-4-1-2-6-13(11)19-16(12)14/h1-7,10H,8H2,(H,18,20)
InChIKeyDXFQKHMGSWIYTK-UHFFFAOYSA-N
XLogP3.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
CID 110470082
2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide
CID 162786879
N-(2,1-benzothiazol-4-yl)-2-cyanoacetamide
CID 168523166
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-fluorobenzamide
CID 108922965
8-[(2-cyanoacetyl)amino]naphthalene-1-sulfonic acid
CID 168524341
3-chloro-N-[2-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922875
N-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-2-cyanoacetamide
CID 168524356
N-[2-[(2-cyanoacetyl)amino]phenyl]-2-methylbenzamide
CID 108922967
2-cyano-N-(2-nitrophenyl)acetamide
CID 2792625
2-cyano-N-dibenzofuran-1-ylacetamide
CID 168520368

Frequently Asked Questions

What is the IUPAC name of N-acridin-4-yl-2-cyanoacetamide?
The IUPAC name of N-acridin-4-yl-2-cyanoacetamide (CID 168524343) is N-acridin-4-yl-2-cyanoacetamide.
What is the SMILES notation for N-acridin-4-yl-2-cyanoacetamide?
The canonical SMILES for N-acridin-4-yl-2-cyanoacetamide is N#CCC(=O)Nc1cccc2cc3ccccc3nc12.
What is the InChIKey of N-acridin-4-yl-2-cyanoacetamide?
The InChIKey is DXFQKHMGSWIYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c17-9-8-15(20)18-14-7-3-5-12-10-11-4-1-2-6-13(11)19-16(12)14/h1-7,10H,8H2,(H,18,20).
What are the key properties of N-acridin-4-yl-2-cyanoacetamide?
N-acridin-4-yl-2-cyanoacetamide has a molecular weight of 261.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acridin-4-yl-2-cyanoacetamide is sourced from PubChem (CID 168524343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).