N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide

C20H19N5O3 — CID 109293534

IUPACN-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)c1
InChIInChI=1S/C20H19N5O3/c1-13(26)23-14-6-8-15(9-7-14)25-20(27)18-11-22-19(12-21-18)24-16-4-3-5-17(10-16)28-2/h3-12H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyMMALRVBUUMPCIO-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.44
Rot. Bonds6

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

N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 109293534) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
PubChem CID109293534
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)c1
InChIInChI=1S/C20H19N5O3/c1-13(26)23-14-6-8-15(9-7-14)25-20(27)18-11-22-19(12-21-18)24-16-4-3-5-17(10-16)28-2/h3-12H,1-2H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyMMALRVBUUMPCIO-UHFFFAOYSA-N
XLogP3.44
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177
N-(4-acetamidophenyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109292791
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
5-(3,4-dichloroanilino)-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 109293597
5-(3-acetamidoanilino)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 109290066
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
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
N-(2-cyanophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293558
5-(3-methoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109292193

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide (CID 109293534) is N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide is COc1cccc(Nc2cnc(C(=O)Nc3ccc(NC(C)=O)cc3)cn2)c1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is MMALRVBUUMPCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13(26)23-14-6-8-15(9-7-14)25-20(27)18-11-22-19(12-21-18)24-16-4-3-5-17(10-16)28-2/h3-12H,1-2H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide?
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).