2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide

C14H10N6O2 — CID 162786879

IUPAC2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc2ccccc2nc1NC(=O)CC#N
InChIInChI=1S/C14H10N6O2/c15-7-5-11(21)19-13-14(20-12(22)6-8-16)18-10-4-2-1-3-9(10)17-13/h1-4H,5-6H2,(H,17,19,21)(H,18,20,22)
InChIKeyNTYOXUQUPUZYAS-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.33
Rot. Bonds4

About 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide

2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide (PubChem CID 162786879) has the molecular formula C14H10N6O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide
PubChem CID162786879
Molecular FormulaC14H10N6O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide
SMILESN#CCC(=O)Nc1nc2ccccc2nc1NC(=O)CC#N
InChIInChI=1S/C14H10N6O2/c15-7-5-11(21)19-13-14(20-12(22)6-8-16)18-10-4-2-1-3-9(10)17-13/h1-4H,5-6H2,(H,17,19,21)(H,18,20,22)
InChIKeyNTYOXUQUPUZYAS-UHFFFAOYSA-N
XLogP1.33
TPSA131.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 168524343
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CID 138994514
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-cyanoacetamide
CID 168524270
N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
CID 110470082
N-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-2-cyanoacetamide
CID 168524356
N-(2,1-benzothiazol-4-yl)-2-cyanoacetamide
CID 168523166
2-cyano-N-(2-methylsulfanylphenyl)acetamide
CID 82672014
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-(3-chloroquinoxalin-2-yl)-3-(methylamino)propanamide
CID 114048982
2-cyano-N-(4-naphthalen-2-ylphenyl)acetamide
CID 168520254

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide?
The IUPAC name of 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide (CID 162786879) is 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide is N#CCC(=O)Nc1nc2ccccc2nc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide?
The InChIKey is NTYOXUQUPUZYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2/c15-7-5-11(21)19-13-14(20-12(22)6-8-16)18-10-4-2-1-3-9(10)17-13/h1-4H,5-6H2,(H,17,19,21)(H,18,20,22).
What are the key properties of 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide?
2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide has a molecular weight of 294.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 162786879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).