N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide

C20H16N4O4 — CID 109294079

IUPACN-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H16N4O4/c1-12(25)13-2-4-14(5-3-13)24-20(26)16-9-22-19(10-21-16)23-15-6-7-17-18(8-15)28-11-27-17/h2-10H,11H2,1H3,(H,22,23)(H,24,26)
InChIKeyXSPODKZRKFSTKX-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.40
Rot. Bonds5

About N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide

N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide (PubChem CID 109294079) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
PubChem CID109294079
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)cc1
InChIInChI=1S/C20H16N4O4/c1-12(25)13-2-4-14(5-3-13)24-20(26)16-9-22-19(10-21-16)23-15-6-7-17-18(8-15)28-11-27-17/h2-10H,11H2,1H3,(H,22,23)(H,24,26)
InChIKeyXSPODKZRKFSTKX-UHFFFAOYSA-N
XLogP3.40
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrazine-2-carboxamide
CID 109294080
5-(4-acetamidoanilino)-N-(1,3-benzodioxol-5-yl)pyrazine-2-carboxamide
CID 109294153
N-(4-acetylphenyl)-6-(1,3-benzodioxol-5-ylamino)pyridine-3-carboxamide
CID 109164518
N-(1,3-benzodioxol-5-yl)-5-(4-chloroanilino)pyrazine-2-carboxamide
CID 109292906
6-(4-acetylanilino)-N-(1,3-benzodioxol-5-yl)pyrimidine-4-carboxamide
CID 109359392
5-(1,3-benzodioxol-5-ylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291390
5-(1,3-benzodioxol-5-ylamino)-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293894
5-(1,3-benzodioxol-5-ylamino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277249
1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279141
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109294263
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280867

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide (CID 109294079) is N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cnc(Nc3ccc4c(c3)OCO4)cn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide?
The InChIKey is XSPODKZRKFSTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-12(25)13-2-4-14(5-3-13)24-20(26)16-9-22-19(10-21-16)23-15-6-7-17-18(8-15)28-11-27-17/h2-10H,11H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide?
N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109294079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).