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

C21H22N4O3 — CID 109290799

IUPACN-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-13-5-7-16(14(2)9-13)25-20-12-22-17(11-23-20)21(26)24-15-6-8-18(27-3)19(10-15)28-4/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZFEAKWXHOJPDMO-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.11
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide (PubChem CID 109290799) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
PubChem CID109290799
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-13-5-7-16(14(2)9-13)25-20-12-22-17(11-23-20)21(26)24-15-6-8-18(27-3)19(10-15)28-4/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyZFEAKWXHOJPDMO-UHFFFAOYSA-N
XLogP4.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
5-(2,5-dimethoxyanilino)-N-(2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109290731
N-(2,4-dimethylphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109290725
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335636
5-(4-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292823
5-(2-methoxy-5-methylanilino)-N-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293804
N-(4-methylphenyl)-5-(3,4,5-trimethoxyanilino)pyrazine-2-carboxamide
CID 109290089
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743
5-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109293973
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide (CID 109290799) is N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3ccc(C)cc3C)cn2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
The InChIKey is ZFEAKWXHOJPDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-5-7-16(14(2)9-13)25-20-12-22-17(11-23-20)21(26)24-15-6-8-18(27-3)19(10-15)28-4/h5-12H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).