5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide

C17H22N4O — CID 109287359

IUPAC5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-11-6-7-13(12(2)8-11)20-16(22)14-9-19-15(10-18-14)21-17(3,4)5/h6-10H,1-5H3,(H,19,21)(H,20,22)
InChIKeyLGHCKMXVRJNAHM-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds3

About 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide

5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109287359) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109287359
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-11-6-7-13(12(2)8-11)20-16(22)14-9-19-15(10-18-14)21-17(3,4)5/h6-10H,1-5H3,(H,19,21)(H,20,22)
InChIKeyLGHCKMXVRJNAHM-UHFFFAOYSA-N
XLogP3.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-5-(3-methoxypropylamino)pyrazine-2-carboxamide
CID 109276285
5-(butan-2-ylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109273399
5-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290763
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
5-[4-(dimethylamino)anilino]-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290744
N-(2,4-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284527
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109287425
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-(2,4-dimethylphenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104639949

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide (CID 109287359) is 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)c(C)c1.
What is the InChIKey of 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is LGHCKMXVRJNAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-6-7-13(12(2)8-11)20-16(22)14-9-19-15(10-18-14)21-17(3,4)5/h6-10H,1-5H3,(H,19,21)(H,20,22).
What are the key properties of 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide?
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109287359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).