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

C20H20N4O2 — CID 109290986

IUPACN-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3ccc(C)c(C)c3)cn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-16(9-14(13)2)24-20(25)18-11-22-19(12-21-18)23-15-5-4-6-17(10-15)26-3/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyHSYBSKVYYYANGY-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109290986) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109290986
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3ccc(C)c(C)c3)cn2)c1
InChIInChI=1S/C20H20N4O2/c1-13-7-8-16(9-14(13)2)24-20(25)18-11-22-19(12-21-18)23-15-5-4-6-17(10-15)26-3/h4-12H,1-3H3,(H,22,23)(H,24,25)
InChIKeyHSYBSKVYYYANGY-UHFFFAOYSA-N
XLogP4.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292193
5-(3-chloro-4-methylanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293161
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
5-(3-chloro-4-methoxyanilino)-N-(3-chlorophenyl)pyrazine-2-carboxamide
CID 109292718
methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291003

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide (CID 109290986) is N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide is COc1cccc(Nc2cnc(C(=O)Nc3ccc(C)c(C)c3)cn2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is HSYBSKVYYYANGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-7-8-16(9-14(13)2)24-20(25)18-11-22-19(12-21-18)23-15-5-4-6-17(10-15)26-3/h4-12H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109290986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).