2-cyano-N-(5-cyanoquinolin-6-yl)acetamide

C13H8N4O — CID 168521448

IUPAC2-cyano-N-(5-cyanoquinolin-6-yl)acetamide
SMILESN#CCC(=O)Nc1ccc2ncccc2c1C#N
InChIInChI=1S/C13H8N4O/c14-6-5-13(18)17-12-4-3-11-9(10(12)8-15)2-1-7-16-11/h1-4,7H,5H2,(H,17,18)
InChIKeyCCKAAIKOVUXLDP-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.96
Rot. Bonds2

About 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide

2-cyano-N-(5-cyanoquinolin-6-yl)acetamide (PubChem CID 168521448) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-cyanoquinolin-6-yl)acetamide
PubChem CID168521448
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name2-cyano-N-(5-cyanoquinolin-6-yl)acetamide
SMILESN#CCC(=O)Nc1ccc2ncccc2c1C#N
InChIInChI=1S/C13H8N4O/c14-6-5-13(18)17-12-4-3-11-9(10(12)8-15)2-1-7-16-11/h1-4,7H,5H2,(H,17,18)
InChIKeyCCKAAIKOVUXLDP-UHFFFAOYSA-N
XLogP1.96
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyanoquinolin-6-yl)thiourea
CID 169357315
6-(2-aminoethylamino)quinoline-5-carbonitrile
CID 23188461
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739
2-cyano-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 110470080
6-[(4-cyano-2,5-dioxopyrrol-3-yl)amino]quinoline-5-carbonitrile
CID 12741231
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
6-methoxyquinoline-5-carbonitrile
CID 603537
N-[1,5-bis(hydroxymethyl)naphthalen-2-yl]-2-cyanoacetamide
CID 19350080
N-(2,1-benzothiazol-4-yl)-2-cyanoacetamide
CID 168523166
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
2-cyano-N-[2-(2-pyridin-2-ylethoxy)phenyl]acetamide
CID 168521174
2-cyano-N-[3-[(2-cyanoacetyl)amino]quinoxalin-2-yl]acetamide
CID 162786879

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide?
The IUPAC name of 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide (CID 168521448) is 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide?
The canonical SMILES for 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide is N#CCC(=O)Nc1ccc2ncccc2c1C#N.
What is the InChIKey of 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide?
The InChIKey is CCKAAIKOVUXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c14-6-5-13(18)17-12-4-3-11-9(10(12)8-15)2-1-7-16-11/h1-4,7H,5H2,(H,17,18).
What are the key properties of 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide?
2-cyano-N-(5-cyanoquinolin-6-yl)acetamide has a molecular weight of 236.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-cyanoquinolin-6-yl)acetamide is sourced from PubChem (CID 168521448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).