5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

C21H20N4O4 — CID 109284768

IUPAC5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)c1
InChIInChI=1S/C21H20N4O4/c1-27-16-4-2-3-14(9-16)7-8-22-21(26)17-11-24-20(12-23-17)25-15-5-6-18-19(10-15)29-13-28-18/h2-6,9-12H,7-8,13H2,1H3,(H,22,26)(H,24,25)
InChIKeyGKCCVIIYMYXUOD-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.93
Rot. Bonds7

About 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide

5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109284768) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109284768
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)c1
InChIInChI=1S/C21H20N4O4/c1-27-16-4-2-3-14(9-16)7-8-22-21(26)17-11-24-20(12-23-17)25-15-5-6-18-19(10-15)29-13-28-18/h2-6,9-12H,7-8,13H2,1H3,(H,22,26)(H,24,25)
InChIKeyGKCCVIIYMYXUOD-UHFFFAOYSA-N
XLogP2.93
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158969
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284777
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284773
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109284467
5-(2,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284737
5-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293894
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
5-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284770

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide (CID 109284768) is 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is COc1cccc(CCNC(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is GKCCVIIYMYXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-27-16-4-2-3-14(9-16)7-8-22-21(26)17-11-24-20(12-23-17)25-15-5-6-18-19(10-15)29-13-28-18/h2-6,9-12H,7-8,13H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide?
5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109284768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).