5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

C20H20N4O3 — CID 109282450

IUPAC5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cccc(OC)c3)cn2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-8-6-14(7-9-16)11-23-20(25)18-12-22-19(13-21-18)24-15-4-3-5-17(10-15)27-2/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLOSMSIKYZIDPQG-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds7

About 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide

5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282450) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282450
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3cccc(OC)c3)cn2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-8-6-14(7-9-16)11-23-20(25)18-12-22-19(13-21-18)24-15-4-3-5-17(10-15)27-2/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLOSMSIKYZIDPQG-UHFFFAOYSA-N
XLogP3.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
5-(2,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282419
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109281544
6-N-(3-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109098040
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109282450) is 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3cccc(OC)c3)cn2)cc1.
What is the InChIKey of 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is LOSMSIKYZIDPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-16-8-6-14(7-9-16)11-23-20(25)18-12-22-19(13-21-18)24-15-4-3-5-17(10-15)27-2/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).