N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide

C19H15N5O2 — CID 21313116

IUPACN-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(=O)Nc1cnc2cc(C#N)ccc2n1
InChIInChI=1S/C19H15N5O2/c1-11-4-3-5-12(2)17(11)18(25)24-19(26)23-16-10-21-15-8-13(9-20)6-7-14(15)22-16/h3-8,10H,1-2H3,(H2,22,23,24,25,26)
InChIKeyGENJFYNIJFCVGL-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.08
Rot. Bonds2

About N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide

N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide (PubChem CID 21313116) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide
PubChem CID21313116
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(=O)Nc1cnc2cc(C#N)ccc2n1
InChIInChI=1S/C19H15N5O2/c1-11-4-3-5-12(2)17(11)18(25)24-19(26)23-16-10-21-15-8-13(9-20)6-7-14(15)22-16/h3-8,10H,1-2H3,(H2,22,23,24,25,26)
InChIKeyGENJFYNIJFCVGL-UHFFFAOYSA-N
XLogP3.08
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide
CID 21313187
2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
CID 21313128
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
CID 58349077
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
N-(2-amino-6-methylphenyl)-5-cyanopyridine-2-carboxamide
CID 63723338
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide (CID 21313116) is N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC(=O)Nc1cnc2cc(C#N)ccc2n1.
What is the InChIKey of N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide?
The InChIKey is GENJFYNIJFCVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-11-4-3-5-12(2)17(11)18(25)24-19(26)23-16-10-21-15-8-13(9-20)6-7-14(15)22-16/h3-8,10H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide?
N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide has a molecular weight of 345.36 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 21313116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).