N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide

C21H20N4O4 — CID 109282638

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2cnc(C(=O)NCc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C21H20N4O4/c1-2-27-16-6-4-15(5-7-16)25-20-12-22-17(11-23-20)21(26)24-10-14-3-8-18-19(9-14)29-13-28-18/h3-9,11-12H,2,10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFIEYDNKSOADLLU-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.28
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide (PubChem CID 109282638) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide
PubChem CID109282638
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide
SMILESCCOc1ccc(Nc2cnc(C(=O)NCc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C21H20N4O4/c1-2-27-16-6-4-15(5-7-16)25-20-12-22-17(11-23-20)21(26)24-10-14-3-8-18-19(9-14)29-13-28-18/h3-9,11-12H,2,10,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyFIEYDNKSOADLLU-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109282628
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyanilino)propanamide
CID 109022658
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276045
N-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370567
5-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282177
5-(1,3-benzodioxol-5-ylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284768
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
5-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277751
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109234623

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide (CID 109282638) is N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide is CCOc1ccc(Nc2cnc(C(=O)NCc3ccc4c(c3)OCO4)cn2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
The InChIKey is FIEYDNKSOADLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-2-27-16-6-4-15(5-7-16)25-20-12-22-17(11-23-20)21(26)24-10-14-3-8-18-19(9-14)29-13-28-18/h3-9,11-12H,2,10,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109282638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).