5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide

C21H22N4O — CID 109290833

IUPAC5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(Nc3ccc(C)c(C)c3)cn2)c1
InChIInChI=1S/C21H22N4O/c1-13-5-6-15(3)18(9-13)25-21(26)19-11-23-20(12-22-19)24-17-8-7-14(2)16(4)10-17/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyOUZAEEVMKOWLCT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds4

About 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide

5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 109290833) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
PubChem CID109290833
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnc(Nc3ccc(C)c(C)c3)cn2)c1
InChIInChI=1S/C21H22N4O/c1-13-5-6-15(3)18(9-13)25-21(26)19-11-23-20(12-22-19)24-17-8-7-14(2)16(4)10-17/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyOUZAEEVMKOWLCT-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109290834
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
N-(4-chloro-2-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290136
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569
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-(2,5-dimethylphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639933
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143
N-(2,5-dimethylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109198052
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide (CID 109290833) is 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide is Cc1ccc(C)c(NC(=O)c2cnc(Nc3ccc(C)c(C)c3)cn2)c1.
What is the InChIKey of 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
The InChIKey is OUZAEEVMKOWLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-5-6-15(3)18(9-13)25-21(26)19-11-23-20(12-22-19)24-17-8-7-14(2)16(4)10-17/h5-12H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide?
5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylanilino)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109290833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).