N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide

C21H22N4O4 — CID 109290089

IUPACN-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)Nc3ccc(C)cc3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-13-5-7-14(8-6-13)25-21(26)16-11-23-19(12-22-16)24-15-9-17(27-2)20(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyYYWNQLDJGIPHPY-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.81
Rot. Bonds7

About N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide

N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109290089) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
PubChem CID109290089
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cc(Nc2cnc(C(=O)Nc3ccc(C)cc3)cn2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O4/c1-13-5-7-14(8-6-13)25-21(26)16-11-23-19(12-22-16)24-15-9-17(27-2)20(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,24)(H,25,26)
InChIKeyYYWNQLDJGIPHPY-UHFFFAOYSA-N
XLogP3.81
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
6-(4-methylanilino)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109162280
5-(4-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289423
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-(3,4-difluoroanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290108
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293298
5-(4-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109289825
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
5-anilino-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109289569

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide (CID 109290089) is N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide is COc1cc(Nc2cnc(C(=O)Nc3ccc(C)cc3)cn2)cc(OC)c1OC.
What is the InChIKey of N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is YYWNQLDJGIPHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-5-7-14(8-6-13)25-21(26)16-11-23-19(12-22-16)24-15-9-17(27-2)20(29-4)18(10-15)28-3/h5-12H,1-4H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide?
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).