N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide

C22H22N4O3 — CID 109282583

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C22H22N4O3/c1-2-26(14-16-6-4-3-5-7-16)21-13-23-18(12-24-21)22(27)25-11-17-8-9-19-20(10-17)29-15-28-19/h3-10,12-13H,2,11,14-15H2,1H3,(H,25,27)
InChIKeyXQGGJOWKOKPLSO-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.16
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide (PubChem CID 109282583) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
PubChem CID109282583
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C22H22N4O3/c1-2-26(14-16-6-4-3-5-7-16)21-13-23-18(12-24-21)22(27)25-11-17-8-9-19-20(10-17)29-15-28-19/h3-10,12-13H,2,11,14-15H2,1H3,(H,25,27)
InChIKeyXQGGJOWKOKPLSO-UHFFFAOYSA-N
XLogP3.16
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-6-(diethylamino)pyridazine-3-carboxamide
CID 109120436
N-(1,3-benzodioxol-5-ylmethyl)-4-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 109211009
5-[benzyl(ethyl)amino]-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109282839
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
CID 108998861
2-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-2,5-dicarboxamide
CID 1294350
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109282638
2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327217
5-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282177
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
N-(1,3-benzodioxol-5-ylmethyl)-5-(3-chloroanilino)pyrazine-2-carboxamide
CID 109282628
N-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-methyl-2,4-dioxopyrido[3,4-d]pyrimidine-6-carboxamide
CID 10252886

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide (CID 109282583) is N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide is CCN(Cc1ccccc1)c1cnc(C(=O)NCc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
The InChIKey is XQGGJOWKOKPLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-26(14-16-6-4-3-5-7-16)21-13-23-18(12-24-21)22(27)25-11-17-8-9-19-20(10-17)29-15-28-19/h3-10,12-13H,2,11,14-15H2,1H3,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-5-[benzyl(ethyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109282583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).