N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide

C13H12N4O — CID 55118335

IUPACN-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide
SMILESCCN(CC#N)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H12N4O/c1-2-17(8-5-14)13(18)10-3-4-11-12(9-10)16-7-6-15-11/h3-4,6-7,9H,2,8H2,1H3
InChIKeyWCTRTGKRWWISGU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.62
Rot. Bonds3

About N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide

N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide (PubChem CID 55118335) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide
PubChem CID55118335
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide
SMILESCCN(CC#N)C(=O)c1ccc2nccnc2c1
InChIInChI=1S/C13H12N4O/c1-2-17(8-5-14)13(18)10-3-4-11-12(9-10)16-7-6-15-11/h3-4,6-7,9H,2,8H2,1H3
InChIKeyWCTRTGKRWWISGU-UHFFFAOYSA-N
XLogP1.62
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-ethylquinoxaline-6-carboxamide
CID 55186656
3-cyano-N-(cyanomethyl)-N-ethylbenzamide
CID 47446256
N-(2-bromoethyl)-N-butylquinoxaline-6-carboxamide
CID 80659192
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
CID 17410522
1-N,1-N,3-N,3-N-tetrakis(cyanomethyl)benzene-1,3-dicarboxamide
CID 668910
3,4-dichloro-N,N-bis(cyanomethyl)benzamide
CID 5018129
N-(cyanomethyl)-N-ethyl-3-methyl-4-nitrobenzamide
CID 47796734
N-(cyanomethyl)-3,4,5-triethoxy-N-ethylbenzamide
CID 60593026
N,N-bis(cyanomethyl)-3,4-dimethoxybenzamide
CID 669334
N-(2-hydroxypropyl)-N-methylquinoxaline-6-carboxamide
CID 62876403
N,N-bis(cyanomethyl)-4-ethoxybenzamide
CID 710517
N-(cyanomethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 78948475

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide (CID 55118335) is N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide is CCN(CC#N)C(=O)c1ccc2nccnc2c1.
What is the InChIKey of N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide?
The InChIKey is WCTRTGKRWWISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-17(8-5-14)13(18)10-3-4-11-12(9-10)16-7-6-15-11/h3-4,6-7,9H,2,8H2,1H3.
What are the key properties of N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide?
N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55118335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).