N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide

C21H17N5O2 — CID 21313187

IUPACN-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(=O)Nc1cnc(-c2cccc(C#N)c2)cn1
InChIInChI=1S/C21H17N5O2/c1-13-5-3-6-14(2)19(13)20(27)26-21(28)25-18-12-23-17(11-24-18)16-8-4-7-15(9-16)10-22/h3-9,11-12H,1-2H3,(H2,24,25,26,27,28)
InChIKeyJZFDTLRUHQMDSG-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.59
Rot. Bonds3

About N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide

N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide (PubChem CID 21313187) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide
PubChem CID21313187
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)NC(=O)Nc1cnc(-c2cccc(C#N)c2)cn1
InChIInChI=1S/C21H17N5O2/c1-13-5-3-6-14(2)19(13)20(27)26-21(28)25-18-12-23-17(11-24-18)16-8-4-7-15(9-16)10-22/h3-9,11-12H,1-2H3,(H2,24,25,26,27,28)
InChIKeyJZFDTLRUHQMDSG-UHFFFAOYSA-N
XLogP3.59
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-cyanoquinoxalin-2-yl)carbamoyl]-2,6-dimethylbenzamide
CID 21313116
N-[5-(5-cyano-2-methylphenyl)pyrazin-2-yl]-3-fluoro-5-methylpyridine-4-carboxamide
CID 70320228
3-[5-ethyl-4-(2-methylbutanoyl)-2-pyridinyl]benzonitrile
CID 178056078
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
5-cyano-N-[3-(3-cyanophenyl)-1H-isoindol-5-yl]-3-methylpyridine-2-carboxamide
CID 167578708
1-[3-(3-cyanophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-(4-phenylbutyl)urea
CID 66558012
1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
CID 83170863
1-[5-(3-cyanoanilino)-2-pyridinyl]-3-phenylurea
CID 113037197
3-(3-acetyl-4-methylphenyl)benzonitrile
CID 70243297

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide (CID 21313187) is N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)NC(=O)Nc1cnc(-c2cccc(C#N)c2)cn1.
What is the InChIKey of N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide?
The InChIKey is JZFDTLRUHQMDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13-5-3-6-14(2)19(13)20(27)26-21(28)25-18-12-23-17(11-24-18)16-8-4-7-15(9-16)10-22/h3-9,11-12H,1-2H3,(H2,24,25,26,27,28).
What are the key properties of N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide?
N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide has a molecular weight of 371.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-cyanophenyl)pyrazin-2-yl]carbamoyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 21313187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).