N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide

C21H20N4O4 — CID 109293849

IUPACN-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cnc(C(=O)Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C21H20N4O4/c1-13(2)29-17-6-4-3-5-15(17)25-20-11-22-16(10-23-20)21(26)24-14-7-8-18-19(9-14)28-12-27-18/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMDWPPROOIUGUIN-UHFFFAOYSA-N
MW392.42 g/mol
LogP3.99
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide (PubChem CID 109293849) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
PubChem CID109293849
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCC(C)Oc1ccccc1Nc1cnc(C(=O)Nc2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C21H20N4O4/c1-13(2)29-17-6-4-3-5-15(17)25-20-11-22-16(10-23-20)21(26)24-14-7-8-18-19(9-14)28-12-27-18/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMDWPPROOIUGUIN-UHFFFAOYSA-N
XLogP3.99
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113034521
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291991
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906
N-(2,4-difluorophenyl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109293851
5-[4-(dimethylamino)anilino]-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293832
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291390
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169
N-tert-butyl-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109287277
5-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293616
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
CID 109294079
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969589

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide (CID 109293849) is N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide is CC(C)Oc1ccccc1Nc1cnc(C(=O)Nc2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The InChIKey is MDWPPROOIUGUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13(2)29-17-6-4-3-5-15(17)25-20-11-22-16(10-23-20)21(26)24-14-7-8-18-19(9-14)28-12-27-18/h3-11,13H,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.99, 6 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-yl)-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109293849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).