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

C20H20N4O2 — CID 109280308

IUPAC5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)NCc3cccc(C)c3)cn2)c1
InChIInChI=1S/C20H20N4O2/c1-14-5-3-6-15(9-14)11-23-20(25)18-12-22-19(13-21-18)24-16-7-4-8-17(10-16)26-2/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRRJVUKGTBFHUDH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.47
Rot. Bonds6

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

5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109280308) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109280308
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2cnc(C(=O)NCc3cccc(C)c3)cn2)c1
InChIInChI=1S/C20H20N4O2/c1-14-5-3-6-15(9-14)11-23-20(25)18-12-22-19(13-21-18)24-16-7-4-8-17(10-16)26-2/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRRJVUKGTBFHUDH-UHFFFAOYSA-N
XLogP3.47
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282450
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
N-[2-(4-methoxyphenoxy)ethyl]-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280392
5-(3,5-dimethylanilino)-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 109291177
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-(4-acetamidophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109293534
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
N-(3-chlorophenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109292721
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide (CID 109280308) is 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide is COc1cccc(Nc2cnc(C(=O)NCc3cccc(C)c3)cn2)c1.
What is the InChIKey of 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is RRJVUKGTBFHUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-5-3-6-15(9-14)11-23-20(25)18-12-22-19(13-21-18)24-16-7-4-8-17(10-16)26-2/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide?
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).