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

C20H20N4O3 — CID 109282451

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-7-3-14(4-8-16)11-23-20(25)18-12-22-19(13-21-18)24-15-5-9-17(27-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCMMDEKTYIWLFGM-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds7

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

5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109282451) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
PubChem CID109282451
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(Nc3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C20H20N4O3/c1-26-16-7-3-14(4-8-16)11-23-20(25)18-12-22-19(13-21-18)24-15-5-9-17(27-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCMMDEKTYIWLFGM-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide (CID 109282451) is 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cnc(Nc3ccc(OC)cc3)cn2)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is CMMDEKTYIWLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-16-7-3-14(4-8-16)11-23-20(25)18-12-22-19(13-21-18)24-15-5-9-17(27-2)10-6-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide?
5-(4-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-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109282451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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